(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C20H26N2O2 — CID 124780671

IUPAC(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@]12CCCc1ccccc12
InChIInChI=1S/C20H26N2O2/c21-18(23)14-8-2-4-10-17(14)22-19(24)16-12-20(16)11-5-7-13-6-1-3-9-15(13)20/h1,3,6,9,14,16-17H,2,4-5,7-8,10-12H2,(H2,21,23)(H,22,24)/t14-,16-,17+,20+/m1/s1
InChIKeyYTIDJBIUJUQYCP-PYQAKABTSA-N
MW326.44 g/mol
LogP2.44
Rot. Bonds3

About (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 124780671) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID124780671
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@]12CCCc1ccccc12
InChIInChI=1S/C20H26N2O2/c21-18(23)14-8-2-4-10-17(14)22-19(24)16-12-20(16)11-5-7-13-6-1-3-9-15(13)20/h1,3,6,9,14,16-17H,2,4-5,7-8,10-12H2,(H2,21,23)(H,22,24)/t14-,16-,17+,20+/m1/s1
InChIKeyYTIDJBIUJUQYCP-PYQAKABTSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119602905
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
N-piperidin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119427333
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119642304
(2-hydroxyphenyl)-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanone
CID 139114969
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
CID 100615038
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 120686692

Frequently Asked Questions

What is the IUPAC name of (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 124780671) is (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@]12CCCc1ccccc12.
What is the InChIKey of (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is YTIDJBIUJUQYCP-PYQAKABTSA-N. The full InChI is InChI=1S/C20H26N2O2/c21-18(23)14-8-2-4-10-17(14)22-19(24)16-12-20(16)11-5-7-13-6-1-3-9-15(13)20/h1,3,6,9,14,16-17H,2,4-5,7-8,10-12H2,(H2,21,23)(H,22,24)/t14-,16-,17+,20+/m1/s1.
What are the key properties of (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 124780671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).