N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

C19H29NO3 — CID 110307535

IUPACN-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C(=O)NCC2CCCC2)C(C)C)cc1OC
InChIInChI=1S/C19H29NO3/c1-13(2)18(19(21)20-12-14-7-5-6-8-14)15-9-10-16(22-3)17(11-15)23-4/h9-11,13-14,18H,5-8,12H2,1-4H3,(H,20,21)
InChIKeyQKPQTDWOXZEBLC-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.75
Rot. Bonds7

About N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 110307535) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
PubChem CID110307535
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C(=O)NCC2CCCC2)C(C)C)cc1OC
InChIInChI=1S/C19H29NO3/c1-13(2)18(19(21)20-12-14-7-5-6-8-14)15-9-10-16(22-3)17(11-15)23-4/h9-11,13-14,18H,5-8,12H2,1-4H3,(H,20,21)
InChIKeyQKPQTDWOXZEBLC-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
2-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110300940
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300954
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 154247141
(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41143654
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 129471370
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)propyl]acetamide
CID 142072683
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603
N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1122315
2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 110301018
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (CID 110307535) is N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is COc1ccc(C(C(=O)NCC2CCCC2)C(C)C)cc1OC.
What is the InChIKey of N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is QKPQTDWOXZEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-13(2)18(19(21)20-12-14-7-5-6-8-14)15-9-10-16(22-3)17(11-15)23-4/h9-11,13-14,18H,5-8,12H2,1-4H3,(H,20,21).
What are the key properties of N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 319.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 110307535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).