N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide

C25H32N2O — CID 67481532

IUPACN-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide
SMILESCC[C@H]1CCCN1C1CC[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)C1
InChIInChI=1S/C25H32N2O/c1-2-23-9-6-16-27(23)24-15-12-21(18-24)20-10-13-22(14-11-20)26-25(28)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,21,23-24H,2,6,9,12,15-18H2,1H3,(H,26,28)/t21-,23-,24?/m0/s1
InChIKeyHZAPKDORHSBWKC-GXBCDIMNSA-N
MW376.54 g/mol
LogP5.38
Rot. Bonds6

About N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide

N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide (PubChem CID 67481532) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide
PubChem CID67481532
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC NameN-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide
SMILESCC[C@H]1CCCN1C1CC[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)C1
InChIInChI=1S/C25H32N2O/c1-2-23-9-6-16-27(23)24-15-12-21(18-24)20-10-13-22(14-11-20)26-25(28)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,21,23-24H,2,6,9,12,15-18H2,1H3,(H,26,28)/t21-,23-,24?/m0/s1
InChIKeyHZAPKDORHSBWKC-GXBCDIMNSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6450842
CID 6450842
CID 67096018
CID 67096018
CID 26873419
CID 26873419
CID 5353593
CID 5353593
CID 10862359
CID 10862359
CID 10938664
CID 10938664
CID 11811557
CID 11811557
CID 9997232
CID 9997232
CID 10090773
CID 10090773
CID 2852569
CID 2852569
CID 316235
CID 316235
CID 1961208
CID 1961208

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide (CID 67481532) is N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide is CC[C@H]1CCCN1C1CC[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)C1.
What is the InChIKey of N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide?
The InChIKey is HZAPKDORHSBWKC-GXBCDIMNSA-N. The full InChI is InChI=1S/C25H32N2O/c1-2-23-9-6-16-27(23)24-15-12-21(18-24)20-10-13-22(14-11-20)26-25(28)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,21,23-24H,2,6,9,12,15-18H2,1H3,(H,26,28)/t21-,23-,24?/m0/s1.
What are the key properties of N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide?
N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide has a molecular weight of 376.54 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-3-[(2S)-2-ethylpyrrolidin-1-yl]cyclopentyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 67481532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).