N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide

C16H26N2O2 — CID 119643172

IUPACN-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-4-16(17,5-2)12-18-15(19)10-9-13-7-6-8-14(11-13)20-3/h6-8,11H,4-5,9-10,12,17H2,1-3H3,(H,18,19)
InChIKeyYRSWRTFAZULQJG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide

N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide (PubChem CID 119643172) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
PubChem CID119643172
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-4-16(17,5-2)12-18-15(19)10-9-13-7-6-8-14(11-13)20-3/h6-8,11H,4-5,9-10,12,17H2,1-3H3,(H,18,19)
InChIKeyYRSWRTFAZULQJG-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119639628
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
CID 31100769
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
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3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide (CID 119643172) is N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide is CCC(N)(CC)CNC(=O)CCc1cccc(OC)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is YRSWRTFAZULQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-16(17,5-2)12-18-15(19)10-9-13-7-6-8-14(11-13)20-3/h6-8,11H,4-5,9-10,12,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide?
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 119643172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).