2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride

C16H24ClN3O3 — CID 119419106

IUPAC2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(NC(C)=O)C2CCCC2)cc1N.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-10(20)18-15(11-5-3-4-6-11)16(21)19-12-7-8-14(22-2)13(17)9-12;/h7-9,11,15H,3-6,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyZTHQFLWFCDTSJB-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.33
Rot. Bonds5

About 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride

2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride (PubChem CID 119419106) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride.

Molecular Properties

Compound Name2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride
PubChem CID119419106
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(NC(C)=O)C2CCCC2)cc1N.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-10(20)18-15(11-5-3-4-6-11)16(21)19-12-7-8-14(22-2)13(17)9-12;/h7-9,11,15H,3-6,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyZTHQFLWFCDTSJB-UHFFFAOYSA-N
XLogP2.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride
CID 119419489
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
CID 51272392
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-amino-4-methoxyphenyl)-1,1-dioxothiane-2-carboxamide
CID 104517382
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride?
The IUPAC name of 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride (CID 119419106) is 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride.
What is the SMILES notation for 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride?
The canonical SMILES for 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride is COc1ccc(NC(=O)C(NC(C)=O)C2CCCC2)cc1N.Cl.
What is the InChIKey of 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride?
The InChIKey is ZTHQFLWFCDTSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-10(20)18-15(11-5-3-4-6-11)16(21)19-12-7-8-14(22-2)13(17)9-12;/h7-9,11,15H,3-6,17H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride?
2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride is sourced from PubChem (CID 119419106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).