4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide

C19H28N2O4 — CID 95157803

IUPAC4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
SMILESCCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-3-4-6-13-7-5-8-15(13)21-19(23)14-9-10-16(17(11-14)24-2)25-12-18(20)22/h9-11,13,15H,3-8,12H2,1-2H3,(H2,20,22)(H,21,23)/t13-,15-/m1/s1
InChIKeyVEIRHQKAWMYISD-UKRRQHHQSA-N
MW348.44 g/mol
LogP2.65
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide (PubChem CID 95157803) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
PubChem CID95157803
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
SMILESCCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-3-4-6-13-7-5-8-15(13)21-19(23)14-9-10-16(17(11-14)24-2)25-12-18(20)22/h9-11,13,15H,3-8,12H2,1-2H3,(H2,20,22)(H,21,23)/t13-,15-/m1/s1
InChIKeyVEIRHQKAWMYISD-UKRRQHHQSA-N
XLogP2.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide (CID 95157803) is 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide is CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide?
The InChIKey is VEIRHQKAWMYISD-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-4-6-13-7-5-8-15(13)21-19(23)14-9-10-16(17(11-14)24-2)25-12-18(20)22/h9-11,13,15H,3-8,12H2,1-2H3,(H2,20,22)(H,21,23)/t13-,15-/m1/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide has a molecular weight of 348.44 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide is sourced from PubChem (CID 95157803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).