2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C23H29NO4 — CID 22684476

IUPAC2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCCOc1ccc2ccccc2c1CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C23H29NO4/c1-2-3-14-28-21-13-12-16-8-4-5-9-17(16)20(21)15-24-22(25)18-10-6-7-11-19(18)23(26)27/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyGJMZUACNHFVULA-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.53
Rot. Bonds8

About 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22684476) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22684476
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCCOc1ccc2ccccc2c1CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C23H29NO4/c1-2-3-14-28-21-13-12-16-8-4-5-9-17(16)20(21)15-24-22(25)18-10-6-7-11-19(18)23(26)27/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyGJMZUACNHFVULA-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 ≤ 500383.49
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-[(3-butoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22686669
2-(2-butoxynaphthalen-1-yl)acetate
CID 7037013
2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
2-[[2-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20989800
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
2-[2-[(2-butoxynaphthalen-1-yl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9148006
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
cis-(1R,2S)-2-[(2-ethoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42232053
2-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 3307862
cis-(1S,2R)-2-[(2-ethoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42232047

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 22684476) is 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCCCOc1ccc2ccccc2c1CNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GJMZUACNHFVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-2-3-14-28-21-13-12-16-8-4-5-9-17(16)20(21)15-24-22(25)18-10-6-7-11-19(18)23(26)27/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 383.49 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-butoxynaphthalen-1-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22684476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).