4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide

C15H22ClN3O3 — CID 120590141

IUPAC4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CC(CN)OC)cc1Cl
InChIInChI=1S/C15H22ClN3O3/c1-3-6-18-15(21)12-5-4-10(7-13(12)16)19-14(20)8-11(9-17)22-2/h4-5,7,11H,3,6,8-9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyHTGLUUDVZAOLBM-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.78
Rot. Bonds8

About 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide

4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide (PubChem CID 120590141) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide.

Molecular Properties

Compound Name4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
PubChem CID120590141
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CC(CN)OC)cc1Cl
InChIInChI=1S/C15H22ClN3O3/c1-3-6-18-15(21)12-5-4-10(7-13(12)16)19-14(20)8-11(9-17)22-2/h4-5,7,11H,3,6,8-9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyHTGLUUDVZAOLBM-UHFFFAOYSA-N
XLogP1.78
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993
N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
CID 120589860
methyl 3-[[4-[(4-amino-3-methoxybutanoyl)amino]benzoyl]amino]propanoate
CID 120587768
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide?
The IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide (CID 120590141) is 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide.
What is the SMILES notation for 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide?
The canonical SMILES for 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CC(CN)OC)cc1Cl.
What is the InChIKey of 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide?
The InChIKey is HTGLUUDVZAOLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-3-6-18-15(21)12-5-4-10(7-13(12)16)19-14(20)8-11(9-17)22-2/h4-5,7,11H,3,6,8-9,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide?
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide has a molecular weight of 327.81 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide is sourced from PubChem (CID 120590141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).