2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide

C23H33NO3 — CID 26336282

IUPAC2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
SMILESO=C(CC1CCCC1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1
InChIInChI=1S/C23H33NO3/c25-23(15-18-6-1-2-7-18)24(20-11-12-20)16-19-8-5-10-21(14-19)27-17-22-9-3-4-13-26-22/h5,8,10,14,18,20,22H,1-4,6-7,9,11-13,15-17H2/t22-/m0/s1
InChIKeyILBJWDAJJHJRES-QFIPXVFZSA-N
MW371.52 g/mol
LogP4.71
Rot. Bonds8

About 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide

2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide (PubChem CID 26336282) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
PubChem CID26336282
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
SMILESO=C(CC1CCCC1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1
InChIInChI=1S/C23H33NO3/c25-23(15-18-6-1-2-7-18)24(20-11-12-20)16-19-8-5-10-21(14-19)27-17-22-9-3-4-13-26-22/h5,8,10,14,18,20,22H,1-4,6-7,9,11-13,15-17H2/t22-/m0/s1
InChIKeyILBJWDAJJHJRES-QFIPXVFZSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
N-cyclopropyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 45184209
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 112817367
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
CID 45220553
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044789

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide (CID 26336282) is 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide is O=C(CC1CCCC1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1.
What is the InChIKey of 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide?
The InChIKey is ILBJWDAJJHJRES-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H33NO3/c25-23(15-18-6-1-2-7-18)24(20-11-12-20)16-19-8-5-10-21(14-19)27-17-22-9-3-4-13-26-22/h5,8,10,14,18,20,22H,1-4,6-7,9,11-13,15-17H2/t22-/m0/s1.
What are the key properties of 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide?
2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide has a molecular weight of 371.52 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 26336282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).