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

C20H32N2O2 — CID 119643365

IUPACN-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H32N2O2/c1-3-20(21,4-2)15-22-19(23)13-12-16-8-7-11-18(14-16)24-17-9-5-6-10-17/h7-8,11,14,17H,3-6,9-10,12-13,15,21H2,1-2H3,(H,22,23)
InChIKeyDAIKSYUBMMZLGZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.57
Rot. Bonds9

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

N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide (PubChem CID 119643365) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
PubChem CID119643365
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H32N2O2/c1-3-20(21,4-2)15-22-19(23)13-12-16-8-7-11-18(14-16)24-17-9-5-6-10-17/h7-8,11,14,17H,3-6,9-10,12-13,15,21H2,1-2H3,(H,22,23)
InChIKeyDAIKSYUBMMZLGZ-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
CID 75386019
N-(2-amino-2-ethylbutyl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119639628
ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate
CID 56527911
2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698424
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide (CID 119643365) is N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide is CCC(N)(CC)CNC(=O)CCc1cccc(OC2CCCC2)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide?
The InChIKey is DAIKSYUBMMZLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-20(21,4-2)15-22-19(23)13-12-16-8-7-11-18(14-16)24-17-9-5-6-10-17/h7-8,11,14,17H,3-6,9-10,12-13,15,21H2,1-2H3,(H,22,23).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide?
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide has a molecular weight of 332.49 g/mol, XLogP of 3.57, 9 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-cyclopentyloxyphenyl)propanamide is sourced from PubChem (CID 119643365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).