2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide

C19H32N2O3 — CID 119274983

IUPAC2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccc(OCC)c(OCC)c1)C(C)C
InChIInChI=1S/C19H32N2O3/c1-6-9-15(20)19(22)21-18(13(4)5)14-10-11-16(23-7-2)17(12-14)24-8-3/h10-13,15,18H,6-9,20H2,1-5H3,(H,21,22)
InChIKeyDAUBCDLSJYIWAC-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.42
Rot. Bonds10

About 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide

2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide (PubChem CID 119274983) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
PubChem CID119274983
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccc(OCC)c(OCC)c1)C(C)C
InChIInChI=1S/C19H32N2O3/c1-6-9-15(20)19(22)21-18(13(4)5)14-10-11-16(23-7-2)17(12-14)24-8-3/h10-13,15,18H,6-9,20H2,1-5H3,(H,21,22)
InChIKeyDAUBCDLSJYIWAC-UHFFFAOYSA-N
XLogP3.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 120608398
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
4-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672384
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide (CID 119274983) is 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide is CCCC(N)C(=O)NC(c1ccc(OCC)c(OCC)c1)C(C)C.
What is the InChIKey of 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide?
The InChIKey is DAUBCDLSJYIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-6-9-15(20)19(22)21-18(13(4)5)14-10-11-16(23-7-2)17(12-14)24-8-3/h10-13,15,18H,6-9,20H2,1-5H3,(H,21,22).
What are the key properties of 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide?
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide has a molecular weight of 336.48 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide is sourced from PubChem (CID 119274983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).