N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C19H20N2O2 — CID 119419726

IUPACN-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCc2ccccc23)cc1N
InChIInChI=1S/C19H20N2O2/c1-23-17-7-6-13(10-16(17)20)21-18(22)15-11-19(15)9-8-12-4-2-3-5-14(12)19/h2-7,10,15H,8-9,11,20H2,1H3,(H,21,22)
InChIKeyMASSETDPTZRTIW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.12
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 119419726) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID119419726
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCc2ccccc23)cc1N
InChIInChI=1S/C19H20N2O2/c1-23-17-7-6-13(10-16(17)20)21-18(22)15-11-19(15)9-8-12-4-2-3-5-14(12)19/h2-7,10,15H,8-9,11,20H2,1H3,(H,21,22)
InChIKeyMASSETDPTZRTIW-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119465619
(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 99812632
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97065291
(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97063111
N-(2-amino-2-ethylbutyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119641782

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 119419726) is N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is COc1ccc(NC(=O)C2CC23CCc2ccccc23)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is MASSETDPTZRTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-17-7-6-13(10-16(17)20)21-18(22)15-11-19(15)9-8-12-4-2-3-5-14(12)19/h2-7,10,15H,8-9,11,20H2,1H3,(H,21,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 119419726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).