N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide

C24H38N2O3 — CID 56552338

IUPACN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1(c2ccccc2OC)CCCC1
InChIInChI=1S/C24H38N2O3/c1-4-17-26(18-5-2)23(28)14-10-13-22(27)25-19-24(15-8-9-16-24)20-11-6-7-12-21(20)29-3/h6-7,11-12H,4-5,8-10,13-19H2,1-3H3,(H,25,27)
InChIKeyCVTVPRXJLRKKOS-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.44
Rot. Bonds12

About N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide (PubChem CID 56552338) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide
PubChem CID56552338
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1(c2ccccc2OC)CCCC1
InChIInChI=1S/C24H38N2O3/c1-4-17-26(18-5-2)23(28)14-10-13-22(27)25-19-24(15-8-9-16-24)20-11-6-7-12-21(20)29-3/h6-7,11-12H,4-5,8-10,13-19H2,1-3H3,(H,25,27)
InChIKeyCVTVPRXJLRKKOS-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
3-(3-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 60569078
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034178
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
2-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylpentanamide
CID 119747072
N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-N',N'-dipropylpentanediamide
CID 56552786

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide (CID 56552338) is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC1(c2ccccc2OC)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide?
The InChIKey is CVTVPRXJLRKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-4-17-26(18-5-2)23(28)14-10-13-22(27)25-19-24(15-8-9-16-24)20-11-6-7-12-21(20)29-3/h6-7,11-12H,4-5,8-10,13-19H2,1-3H3,(H,25,27).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide?
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide has a molecular weight of 402.58 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56552338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).