2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide

C20H30N2O3 — CID 75386019

IUPAC2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(NC(=O)CCc1cccc(OC2CCCC2)c1)C(C)C
InChIInChI=1S/C20H30N2O3/c1-14(2)19(20(24)21-3)22-18(23)12-11-15-7-6-10-17(13-15)25-16-8-4-5-9-16/h6-7,10,13-14,16,19H,4-5,8-9,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLYXHWNIWQSZPBZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.83
Rot. Bonds8

About 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide

2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide (PubChem CID 75386019) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
PubChem CID75386019
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(NC(=O)CCc1cccc(OC2CCCC2)c1)C(C)C
InChIInChI=1S/C20H30N2O3/c1-14(2)19(20(24)21-3)22-18(23)12-11-15-7-6-10-17(13-15)25-16-8-4-5-9-16/h6-7,10,13-14,16,19H,4-5,8-9,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLYXHWNIWQSZPBZ-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
CID 95352740
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
CID 166378121
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119469306
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene
CID 114523075
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42949315

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide (CID 75386019) is 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide is CNC(=O)C(NC(=O)CCc1cccc(OC2CCCC2)c1)C(C)C.
What is the InChIKey of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide?
The InChIKey is LYXHWNIWQSZPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)19(20(24)21-3)22-18(23)12-11-15-7-6-10-17(13-15)25-16-8-4-5-9-16/h6-7,10,13-14,16,19H,4-5,8-9,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide?
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide has a molecular weight of 346.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide is sourced from PubChem (CID 75386019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).