N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride

C19H22ClN3O4 — CID 119420224

IUPACN-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1N.Cl
InChIInChI=1S/C19H21N3O4.ClH/c1-25-17-8-7-14(10-16(17)20)21-18(23)11-26-15-4-2-3-13(9-15)22-19(24)12-5-6-12;/h2-4,7-10,12H,5-6,11,20H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyNRRXOZXVRMKUPW-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.07
Rot. Bonds7

About N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119420224) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119420224
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC NameN-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1N.Cl
InChIInChI=1S/C19H21N3O4.ClH/c1-25-17-8-7-14(10-16(17)20)21-18(23)11-26-15-4-2-3-13(9-15)22-19(24)12-5-6-12;/h2-4,7-10,12H,5-6,11,20H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyNRRXOZXVRMKUPW-UHFFFAOYSA-N
XLogP3.07
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46546821
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride (CID 119420224) is N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride is COc1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1N.Cl.
What is the InChIKey of N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is NRRXOZXVRMKUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4.ClH/c1-25-17-8-7-14(10-16(17)20)21-18(23)11-26-15-4-2-3-13(9-15)22-19(24)12-5-6-12;/h2-4,7-10,12H,5-6,11,20H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 391.86 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119420224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).