4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide

C17H27N3O — CID 60928577

IUPAC4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(C)NCCCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-14(2)18-10-6-9-17(21)19-15-7-5-8-16(13-15)20-11-3-4-12-20/h5,7-8,13-14,18H,3-4,6,9-12H2,1-2H3,(H,19,21)
InChIKeyQQACQOCSCCOMJY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.00
Rot. Bonds7

About 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide

4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 60928577) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID60928577
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(C)NCCCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-14(2)18-10-6-9-17(21)19-15-7-5-8-16(13-15)20-11-3-4-12-20/h5,7-8,13-14,18H,3-4,6,9-12H2,1-2H3,(H,19,21)
InChIKeyQQACQOCSCCOMJY-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
CID 126839368
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 60928577) is 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide is CC(C)NCCCC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is QQACQOCSCCOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)18-10-6-9-17(21)19-15-7-5-8-16(13-15)20-11-3-4-12-20/h5,7-8,13-14,18H,3-4,6,9-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 60928577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).