cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide

C18H25NO — CID 121339938

IUPACcis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide
SMILESC[C@H]1[C@@H]([C@H]2CC[C@@H]2C(=O)Nc2ccccc2)CC[C@H]1C
InChIInChI=1S/C18H25NO/c1-12-8-9-15(13(12)2)16-10-11-17(16)18(20)19-14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,19,20)/t12-,13-,15+,16-,17+/m1/s1
InChIKeyKWJBLNAKHHVAAD-GJVDQKBNSA-N
MW271.40 g/mol
LogP4.33
Rot. Bonds3

About cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide

cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide (PubChem CID 121339938) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide
PubChem CID121339938
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Namecis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide
SMILESC[C@H]1[C@@H]([C@H]2CC[C@@H]2C(=O)Nc2ccccc2)CC[C@H]1C
InChIInChI=1S/C18H25NO/c1-12-8-9-15(13(12)2)16-10-11-17(16)18(20)19-14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,19,20)/t12-,13-,15+,16-,17+/m1/s1
InChIKeyKWJBLNAKHHVAAD-GJVDQKBNSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide;[3-[(1S,2R,3R)-2,3-dimethylcyclopentyl]piperidine-4-carbonyl]-methylazanide;[4-[(1S,2R,3R)-2,3-dimethylcyclopentyl]pyrrolidine-3-carbonyl]-methylazanide;ethane;ethane;bis(yttrium)
CID 161054536
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
(1S,2S,4R,5S,6R)-5,6-dihydroxy-N-phenylbicyclo[2.2.2]octane-2-carboxamide
CID 10706534
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
2-N-cyclopropyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109130904
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-(dimethylamino)-N-phenylcyclohexane-1-carboxamide
CID 71440267

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide (CID 121339938) is cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide is C[C@H]1[C@@H]([C@H]2CC[C@@H]2C(=O)Nc2ccccc2)CC[C@H]1C.
What is the InChIKey of cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide?
The InChIKey is KWJBLNAKHHVAAD-GJVDQKBNSA-N. The full InChI is InChI=1S/C18H25NO/c1-12-8-9-15(13(12)2)16-10-11-17(16)18(20)19-14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,19,20)/t12-,13-,15+,16-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide?
cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 121339938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).