N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine

C28H47N5O3 — CID 143916555

IUPACN-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine
SMILESCCNC.CNCC(=O)N(CCc1ccccc1)CC1CCCN1C(=O)C(NC=O)C1CCCCC1
InChIInChI=1S/C25H38N4O3.C3H9N/c1-26-17-23(31)28(16-14-20-9-4-2-5-10-20)18-22-13-8-15-29(22)25(32)24(27-19-30)21-11-6-3-7-12-21;1-3-4-2/h2,4-5,9-10,19,21-22,24,26H,3,6-8,11-18H2,1H3,(H,27,30);4H,3H2,1-2H3
InChIKeyICANEBCYRUDKPJ-UHFFFAOYSA-N
MW501.72 g/mol
LogP2.19
Rot. Bonds12

About N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine

N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine (PubChem CID 143916555) has the molecular formula C28H47N5O3 and a molecular weight of 501.72 g/mol. Its IUPAC name is N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine
PubChem CID143916555
Molecular FormulaC28H47N5O3
Molecular Weight501.72 g/mol
Exact Mass501.37
IUPAC NameN-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine
SMILESCCNC.CNCC(=O)N(CCc1ccccc1)CC1CCCN1C(=O)C(NC=O)C1CCCCC1
InChIInChI=1S/C25H38N4O3.C3H9N/c1-26-17-23(31)28(16-14-20-9-4-2-5-10-20)18-22-13-8-15-29(22)25(32)24(27-19-30)21-11-6-3-7-12-21;1-3-4-2/h2,4-5,9-10,19,21-22,24,26H,3,6-8,11-18H2,1H3,(H,27,30);4H,3H2,1-2H3
InChIKeyICANEBCYRUDKPJ-UHFFFAOYSA-N
XLogP2.19
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.72
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(2R)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperidin-2-yl]methyl-(2-phenylethyl)amino]-2-oxoethyl]-4-[4-[[2-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperidin-2-yl]methyl-(2-phenylethyl)amino]-2-oxoethyl]carbamoyl]phenyl]benzamide
CID 44609787
N-[[1-[3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-4-oxo-N-(2-phenylethyl)butanamide
CID 134423456
(2S)-N-[(2S)-3-cyclohexyl-1-oxo-1-[(2S)-2-[[2-phenylethyl(propanoyl)amino]methyl]pyrrolidin-1-yl]propan-2-yl]-2-(methylamino)propanamide
CID 58756377
N-[2-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperidin-2-yl]methyl-(2-phenylethyl)amino]-2-oxoethyl]-4-[4-[[2-[[1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]piperidin-2-yl]-(2-phenylethyl)amino]-2-oxoethyl]carbamoyl]phenyl]benzamide
CID 88927108
N-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]methyl]-2-[4-[4-[4-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]-1,3-thiazol-2-yl]phenyl]phenyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 88927066
N-[[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 129043909
N-[[(2S)-1-[(2S)-2-[[2-(methylamino)acetyl]amino]-4-phenylbutanoyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)naphthalene-1-carboxamide
CID 143330152
4-[4-[[2-[[(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]piperidin-2-yl]methyl-(2-phenylethyl)amino]-2-oxoethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 70943079
N-[1-[2-[[formyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)acetamide
CID 143577788
(2R,5S)-1-[(2S)-2-[[bis(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione
CID 58515438
6-N-[[(2S)-1-[(2S,5S)-2-cyclopentyl-5-(methylamino)-4-oxohexanoyl]pyrrolidin-2-yl]methyl]-2-N-[[(2S)-1-[(2S)-2-cyclopentyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidin-2-yl]methyl]-2-N,6-N-bis(2-phenylethyl)naphthalene-2,6-dicarboxamide
CID 58341106
N-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 53373861

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine?
The IUPAC name of N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine (CID 143916555) is N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine.
What is the SMILES notation for N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine?
The canonical SMILES for N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine is CCNC.CNCC(=O)N(CCc1ccccc1)CC1CCCN1C(=O)C(NC=O)C1CCCCC1.
What is the InChIKey of N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine?
The InChIKey is ICANEBCYRUDKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3.C3H9N/c1-26-17-23(31)28(16-14-20-9-4-2-5-10-20)18-22-13-8-15-29(22)25(32)24(27-19-30)21-11-6-3-7-12-21;1-3-4-2/h2,4-5,9-10,19,21-22,24,26H,3,6-8,11-18H2,1H3,(H,27,30);4H,3H2,1-2H3.
What are the key properties of N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine?
N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine has a molecular weight of 501.72 g/mol, XLogP of 2.19, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexyl-2-formamidoacetyl)pyrrolidin-2-yl]methyl]-2-(methylamino)-N-(2-phenylethyl)acetamide;N-methylethanamine is sourced from PubChem (CID 143916555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).