1-(dodecanoylamino)naphthalene-2-carboxylic acid

C23H31NO3 — CID 21470620

IUPAC1-(dodecanoylamino)naphthalene-2-carboxylic acid
SMILESCCCCCCCCCCCC(=O)Nc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-10-15-21(25)24-22-19-14-12-11-13-18(19)16-17-20(22)23(26)27/h11-14,16-17H,2-10,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyHDXNAOAKBZMOAF-UHFFFAOYSA-N
MW369.50 g/mol
LogP6.40
Rot. Bonds12

About 1-(dodecanoylamino)naphthalene-2-carboxylic acid

1-(dodecanoylamino)naphthalene-2-carboxylic acid (PubChem CID 21470620) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is 1-(dodecanoylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(dodecanoylamino)naphthalene-2-carboxylic acid
PubChem CID21470620
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name1-(dodecanoylamino)naphthalene-2-carboxylic acid
SMILESCCCCCCCCCCCC(=O)Nc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-10-15-21(25)24-22-19-14-12-11-13-18(19)16-17-20(22)23(26)27/h11-14,16-17H,2-10,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyHDXNAOAKBZMOAF-UHFFFAOYSA-N
XLogP6.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
2,3-bis(tetradecanoylamino)benzoic acid
CID 154111832
N-naphthalen-1-yldodecanamide
CID 588517
3-bromo-2-(nonanoylamino)benzoic acid
CID 63405626
2-(hexacosanoylamino)benzoic acid
CID 123304158
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
iron;1-octylnaphthalene-2-carboxylic acid
CID 159193184
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
1-formamidonaphthalene-2-carboxylic acid
CID 174958929

Frequently Asked Questions

What is the IUPAC name of 1-(dodecanoylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(dodecanoylamino)naphthalene-2-carboxylic acid (CID 21470620) is 1-(dodecanoylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(dodecanoylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(dodecanoylamino)naphthalene-2-carboxylic acid is CCCCCCCCCCCC(=O)Nc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(dodecanoylamino)naphthalene-2-carboxylic acid?
The InChIKey is HDXNAOAKBZMOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-10-15-21(25)24-22-19-14-12-11-13-18(19)16-17-20(22)23(26)27/h11-14,16-17H,2-10,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 1-(dodecanoylamino)naphthalene-2-carboxylic acid?
1-(dodecanoylamino)naphthalene-2-carboxylic acid has a molecular weight of 369.50 g/mol, XLogP of 6.40, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecanoylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 21470620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).