N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide

C19H30N4O3 — CID 51124929

IUPACN-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide
SMILESCOCCNC(=O)CCNC(=O)N(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C19H30N4O3/c1-22(19(25)21-10-9-18(24)20-11-14-26-2)15-16-7-3-4-8-17(16)23-12-5-6-13-23/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNDLJMRIFQIDMLT-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.58
Rot. Bonds9

About N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide

N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide (PubChem CID 51124929) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide
PubChem CID51124929
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide
SMILESCOCCNC(=O)CCNC(=O)N(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C19H30N4O3/c1-22(19(25)21-10-9-18(24)20-11-14-26-2)15-16-7-3-4-8-17(16)23-12-5-6-13-23/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNDLJMRIFQIDMLT-UHFFFAOYSA-N
XLogP1.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
2-chloro-N-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551605
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576
3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
N-[4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51233336

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide (CID 51124929) is N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide is COCCNC(=O)CCNC(=O)N(C)Cc1ccccc1N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide?
The InChIKey is NDLJMRIFQIDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-22(19(25)21-10-9-18(24)20-11-14-26-2)15-16-7-3-4-8-17(16)23-12-5-6-13-23/h3-4,7-8H,5-6,9-15H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide?
N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide has a molecular weight of 362.47 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]propanamide is sourced from PubChem (CID 51124929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).