3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide

C19H28N2O3 — CID 119753278

IUPAC3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(CN(CC2CCCO2)C(=O)C2CCC(N)C2)c1
InChIInChI=1S/C19H28N2O3/c1-23-17-5-2-4-14(10-17)12-21(13-18-6-3-9-24-18)19(22)15-7-8-16(20)11-15/h2,4-5,10,15-16,18H,3,6-9,11-13,20H2,1H3
InChIKeyKBOQYHDYJUYMRU-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.33
Rot. Bonds6

About 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide

3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 119753278) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID119753278
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(CN(CC2CCCO2)C(=O)C2CCC(N)C2)c1
InChIInChI=1S/C19H28N2O3/c1-23-17-5-2-4-14(10-17)12-21(13-18-6-3-9-24-18)19(22)15-7-8-16(20)11-15/h2,4-5,10,15-16,18H,3,6-9,11-13,20H2,1H3
InChIKeyKBOQYHDYJUYMRU-UHFFFAOYSA-N
XLogP2.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119759143
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
4-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025010
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
4,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 86847436
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide (CID 119753278) is 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide is COc1cccc(CN(CC2CCCO2)C(=O)C2CCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is KBOQYHDYJUYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-5-2-4-14(10-17)12-21(13-18-6-3-9-24-18)19(22)15-7-8-16(20)11-15/h2,4-5,10,15-16,18H,3,6-9,11-13,20H2,1H3.
What are the key properties of 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide?
3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119753278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).