2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C23H27NO4 — CID 17131410

IUPAC2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C23H27NO4/c25-22(18-12-4-5-13-19(18)23(26)27)24-20-14-6-7-15-21(20)28-16-8-11-17-9-2-1-3-10-17/h1-3,6-7,9-10,14-15,18-19H,4-5,8,11-13,16H2,(H,24,25)(H,26,27)
InChIKeyPGVPORDOBATPQS-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.53
Rot. Bonds8

About 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 17131410) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID17131410
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C23H27NO4/c25-22(18-12-4-5-13-19(18)23(26)27)24-20-14-6-7-15-21(20)28-16-8-11-17-9-2-1-3-10-17/h1-3,6-7,9-10,14-15,18-19H,4-5,8,11-13,16H2,(H,24,25)(H,26,27)
InChIKeyPGVPORDOBATPQS-UHFFFAOYSA-N
XLogP4.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20989800
2-[[2-(2-methylprop-2-enoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17113215
N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 154888171
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
(3S,4S)-3,4-dihydroxy-N-[2-(3-phenylpropoxy)phenyl]piperidine-1-carboxamide
CID 118761290
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 50964338
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 17131410) is 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PGVPORDOBATPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c25-22(18-12-4-5-13-19(18)23(26)27)24-20-14-6-7-15-21(20)28-16-8-11-17-9-2-1-3-10-17/h1-3,6-7,9-10,14-15,18-19H,4-5,8,11-13,16H2,(H,24,25)(H,26,27).
What are the key properties of 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 381.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17131410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).