7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide

C17H27N3O — CID 119861676

IUPAC7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
SMILESNCCCCCCC(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c18-12-7-2-1-6-10-17(21)19-15-11-13-20(14-15)16-8-4-3-5-9-16/h3-5,8-9,15H,1-2,6-7,10-14,18H2,(H,19,21)
InChIKeyGPHAVLCCXBIYMP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.29
Rot. Bonds8

About 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide

7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide (PubChem CID 119861676) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
PubChem CID119861676
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
SMILESNCCCCCCC(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c18-12-7-2-1-6-10-17(21)19-15-11-13-20(14-15)16-8-4-3-5-9-16/h3-5,8-9,15H,1-2,6-7,10-14,18H2,(H,19,21)
InChIKeyGPHAVLCCXBIYMP-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.29
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-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
7-amino-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]heptanamide;dihydrochloride
CID 119882877
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide?
The IUPAC name of 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide (CID 119861676) is 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide is NCCCCCCC(=O)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide?
The InChIKey is GPHAVLCCXBIYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-12-7-2-1-6-10-17(21)19-15-11-13-20(14-15)16-8-4-3-5-9-16/h3-5,8-9,15H,1-2,6-7,10-14,18H2,(H,19,21).
What are the key properties of 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide?
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide has a molecular weight of 289.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide is sourced from PubChem (CID 119861676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).