(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C22H24N2O3 — CID 99812632

IUPAC(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCON(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-24(27-2)21(26)16-9-11-17(12-10-16)23-20(25)19-14-22(19)13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,19H,5,7,13-14H2,1-2H3,(H,23,25)/t19-,22-/m1/s1
InChIKeyVTGMREXJIIJEDN-DENIHFKCSA-N
MW364.45 g/mol
LogP3.55
Rot. Bonds4

About (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 99812632) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID99812632
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCON(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-24(27-2)21(26)16-9-11-17(12-10-16)23-20(25)19-14-22(19)13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,19H,5,7,13-14H2,1-2H3,(H,23,25)/t19-,22-/m1/s1
InChIKeyVTGMREXJIIJEDN-DENIHFKCSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97063111
N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119419726
(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,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119642304
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115
(1'R,4S)-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 124882366
(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97061520
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
3-methylsulfonyl-5-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)benzoic acid
CID 120688204

Frequently Asked Questions

What is the IUPAC name of (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 99812632) is (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is CON(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1.
What is the InChIKey of (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is VTGMREXJIIJEDN-DENIHFKCSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24(27-2)21(26)16-9-11-17(12-10-16)23-20(25)19-14-22(19)13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,19H,5,7,13-14H2,1-2H3,(H,23,25)/t19-,22-/m1/s1.
What are the key properties of (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 99812632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).