2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide

C22H31NO3 — CID 26359192

IUPAC2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide
SMILESCC1(COc2ccc(CN(C(=O)CC3CCCC3)C3CC3)cc2)COC1
InChIInChI=1S/C22H31NO3/c1-22(14-25-15-22)16-26-20-10-6-18(7-11-20)13-23(19-8-9-19)21(24)12-17-4-2-3-5-17/h6-7,10-11,17,19H,2-5,8-9,12-16H2,1H3
InChIKeyFRXWNRKVJYPVBK-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.17
Rot. Bonds8

About 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide

2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide (PubChem CID 26359192) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide
PubChem CID26359192
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide
SMILESCC1(COc2ccc(CN(C(=O)CC3CCCC3)C3CC3)cc2)COC1
InChIInChI=1S/C22H31NO3/c1-22(14-25-15-22)16-26-20-10-6-18(7-11-20)13-23(19-8-9-19)21(24)12-17-4-2-3-5-17/h6-7,10-11,17,19H,2-5,8-9,12-16H2,1H3
InChIKeyFRXWNRKVJYPVBK-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
CID 42275729
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide
CID 166186727
2-cyclopentyl-N-cyclopropyl-N-[[3-[[(2S)-oxan-2-yl]methoxy]phenyl]methyl]acetamide
CID 26336282
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-3-(2-methoxyphenyl)propanamide
CID 26352511
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide (CID 26359192) is 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide is CC1(COc2ccc(CN(C(=O)CC3CCCC3)C3CC3)cc2)COC1.
What is the InChIKey of 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide?
The InChIKey is FRXWNRKVJYPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-22(14-25-15-22)16-26-20-10-6-18(7-11-20)13-23(19-8-9-19)21(24)12-17-4-2-3-5-17/h6-7,10-11,17,19H,2-5,8-9,12-16H2,1H3.
What are the key properties of 2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide?
2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide has a molecular weight of 357.49 g/mol, XLogP of 4.17, 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-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 26359192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).