trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C22H24N2O4 — CID 7366556

IUPACtrans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C22H24N2O4/c25-20(23-14-15-6-2-1-3-7-15)16-10-12-17(13-11-16)24-21(26)18-8-4-5-9-19(18)22(27)28/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,23,25)(H,24,26)(H,27,28)/t18-,19-/m1/s1
InChIKeyZAXMGUJWDUXQID-RTBURBONSA-N
MW380.44 g/mol
LogP3.45
Rot. Bonds6

About trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 7366556) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID7366556
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nametrans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C22H24N2O4/c25-20(23-14-15-6-2-1-3-7-15)16-10-12-17(13-11-16)24-21(26)18-8-4-5-9-19(18)22(27)28/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,23,25)(H,24,26)(H,27,28)/t18-,19-/m1/s1
InChIKeyZAXMGUJWDUXQID-RTBURBONSA-N
XLogP3.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974926
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17233524
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
(1R,6S)-3,4-dimethyl-6-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1130084
trans-(1R,2R)-2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6547888
2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 5074302
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
cis-(1S,2R)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484548

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 7366556) is trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZAXMGUJWDUXQID-RTBURBONSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(23-14-15-6-2-1-3-7-15)16-10-12-17(13-11-16)24-21(26)18-8-4-5-9-19(18)22(27)28/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,23,25)(H,24,26)(H,27,28)/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 7366556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).