N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide

C17H26N2O — CID 119802857

IUPACN-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
SMILESCCCC(CCc1ccccc1)NC(=O)C1CCNC1
InChIInChI=1S/C17H26N2O/c1-2-6-16(10-9-14-7-4-3-5-8-14)19-17(20)15-11-12-18-13-15/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,19,20)
InChIKeySMDGYPMSALWRBT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.51
Rot. Bonds7

About N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide

N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide (PubChem CID 119802857) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
PubChem CID119802857
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
SMILESCCCC(CCc1ccccc1)NC(=O)C1CCNC1
InChIInChI=1S/C17H26N2O/c1-2-6-16(10-9-14-7-4-3-5-8-14)19-17(20)15-11-12-18-13-15/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,19,20)
InChIKeySMDGYPMSALWRBT-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide (CID 119802857) is N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide is CCCC(CCc1ccccc1)NC(=O)C1CCNC1.
What is the InChIKey of N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is SMDGYPMSALWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-16(10-9-14-7-4-3-5-8-14)19-17(20)15-11-12-18-13-15/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,19,20).
What are the key properties of N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide?
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119802857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).