N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide

C16H24N4O3 — CID 120589432

IUPACN-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESCOC(CN)CC(=O)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C16H24N4O3/c1-23-12(11-17)10-15(21)18-13-6-2-3-7-14(13)19-16(22)20-8-4-5-9-20/h2-3,6-7,12H,4-5,8-11,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyRWISFFQOLLGCBE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.62
Rot. Bonds6

About N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 120589432) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID120589432
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESCOC(CN)CC(=O)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C16H24N4O3/c1-23-12(11-17)10-15(21)18-13-6-2-3-7-14(13)19-16(22)20-8-4-5-9-20/h2-3,6-7,12H,4-5,8-11,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyRWISFFQOLLGCBE-UHFFFAOYSA-N
XLogP1.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120588220
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120594111
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide (CID 120589432) is N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide is COC(CN)CC(=O)Nc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is RWISFFQOLLGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-12(11-17)10-15(21)18-13-6-2-3-7-14(13)19-16(22)20-8-4-5-9-20/h2-3,6-7,12H,4-5,8-11,17H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 120589432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).