N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide

C27H30N4O4 — CID 11134544

IUPACN-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide
SMILESCc1ccc(CC(=O)NC(C(=O)NCC(N)=O)c2ccc(OCCCc3cccnc3)cc2)cc1
InChIInChI=1S/C27H30N4O4/c1-19-6-8-20(9-7-19)16-25(33)31-26(27(34)30-18-24(28)32)22-10-12-23(13-11-22)35-15-3-5-21-4-2-14-29-17-21/h2,4,6-14,17,26H,3,5,15-16,18H2,1H3,(H2,28,32)(H,30,34)(H,31,33)
InChIKeyLATBQUYQTDAWKY-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.40
Rot. Bonds12

About N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide

N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide (PubChem CID 11134544) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide
PubChem CID11134544
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide
SMILESCc1ccc(CC(=O)NC(C(=O)NCC(N)=O)c2ccc(OCCCc3cccnc3)cc2)cc1
InChIInChI=1S/C27H30N4O4/c1-19-6-8-20(9-7-19)16-25(33)31-26(27(34)30-18-24(28)32)22-10-12-23(13-11-22)35-15-3-5-21-4-2-14-29-17-21/h2,4,6-14,17,26H,3,5,15-16,18H2,1H3,(H2,28,32)(H,30,34)(H,31,33)
InChIKeyLATBQUYQTDAWKY-UHFFFAOYSA-N
XLogP2.40
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide 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

methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide
CID 110626074
ethyl 2-methylsulfonyloxy-3-[4-(3-pyridin-3-ylpropoxy)phenyl]propanoate
CID 139710446
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781
3-pyridin-3-ylpropyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate
CID 78772420
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide (CID 11134544) is N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide is Cc1ccc(CC(=O)NC(C(=O)NCC(N)=O)c2ccc(OCCCc3cccnc3)cc2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide?
The InChIKey is LATBQUYQTDAWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-6-8-20(9-7-19)16-25(33)31-26(27(34)30-18-24(28)32)22-10-12-23(13-11-22)35-15-3-5-21-4-2-14-29-17-21/h2,4,6-14,17,26H,3,5,15-16,18H2,1H3,(H2,28,32)(H,30,34)(H,31,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide?
N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide has a molecular weight of 474.56 g/mol, XLogP of 2.40, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[[2-(4-methylphenyl)acetyl]amino]-2-[4-(3-pyridin-3-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 11134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).