cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C25H29N5O2 — CID 138696214

About cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 138696214) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 138696214
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
• SMILES: COc1ccc(-c2ccc(NC(=O)[C@@H]3C[C@H]3C3CCCCC3)cc2-c2nn[nH]n2)cc1C
• InChI: InChI=1S/C25H29N5O2/c1-15-12-17(8-11-23(15)32-2)19-10-9-18(13-21(19)24-27-29-30-28-24)26-25(31)22-14-20(22)16-6-4-3-5-7-16/h8-13,16,20,22H,3-7,14H2,1-2H3,(H,26,31)(H,27,28,29,30)/t20-,22+/m0/s1
• InChIKey: LGGQHEKQACAQMP-RBBKRZOGSA-N
• XLogP: 5.01
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 138696214) is cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is COc1ccc(-c2ccc(NC(=O)[C@@H]3C[C@H]3C3CCCCC3)cc2-c2nn[nH]n2)cc1C.

What is the InChIKey of cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is LGGQHEKQACAQMP-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-15-12-17(8-11-23(15)32-2)19-10-9-18(13-21(19)24-27-29-30-28-24)26-25(31)22-14-20(22)16-6-4-3-5-7-16/h8-13,16,20,22H,3-7,14H2,1-2H3,(H,26,31)(H,27,28,29,30)/t20-,22+/m0/s1.

What are the key properties of cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?

cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138696214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).