N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide

C16H23NO2 — CID 96541296

IUPACN-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
SMILESCO[C@H]1CCC[C@@H]1NC(=O)CCCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-19-15-11-6-10-14(15)17-16(18)12-5-9-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyIFQJJDPDAQXOHK-GJZGRUSLSA-N
MW261.36 g/mol
LogP2.69
Rot. Bonds6

About N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide

N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide (PubChem CID 96541296) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
PubChem CID96541296
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
SMILESCO[C@H]1CCC[C@@H]1NC(=O)CCCc1ccccc1
InChIInChI=1S/C16H23NO2/c1-19-15-11-6-10-14(15)17-16(18)12-5-9-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18)/t14-,15-/m0/s1
InChIKeyIFQJJDPDAQXOHK-GJZGRUSLSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromocyclopentyl)-4-phenylbutanamide
CID 80663026
N-(2-methoxycyclopentyl)-3-sulfanylpropanamide
CID 107027892
2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
CID 62088266
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244
(1S,3S,4S)-N-cyclopropyl-3-methoxy-4-[4-(4-methoxyphenyl)butanoylamino]cyclohexane-1-carboxamide
CID 155491944
N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
CID 115880624
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
5-amino-N-(2-methoxycyclopentyl)-4-methylpentanamide
CID 82010981
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide (CID 96541296) is N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide is CO[C@H]1CCC[C@@H]1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide?
The InChIKey is IFQJJDPDAQXOHK-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-15-11-6-10-14(15)17-16(18)12-5-9-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide?
N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide has a molecular weight of 261.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide is sourced from PubChem (CID 96541296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).