N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide

C28H33N3O2 — CID 58994763

IUPACN-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NCC2CCCCC2)c(C)c1
InChIInChI=1S/C28H33N3O2/c1-18-13-19(2)26(20(3)14-18)31-28(33)30-25-16-23-12-8-7-11-22(23)15-24(25)27(32)29-17-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3,(H,29,32)(H2,30,31,33)
InChIKeyXRXGJGRQQWHWTM-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.72
Rot. Bonds5

About N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide

N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide (PubChem CID 58994763) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide
PubChem CID58994763
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NCC2CCCCC2)c(C)c1
InChIInChI=1S/C28H33N3O2/c1-18-13-19(2)26(20(3)14-18)31-28(33)30-25-16-23-12-8-7-11-22(23)15-24(25)27(32)29-17-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3,(H,29,32)(H2,30,31,33)
InChIKeyXRXGJGRQQWHWTM-UHFFFAOYSA-N
XLogP6.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-cyclohexyl-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
CID 44571381
cyclohexyl 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 91141656
methyl 2-(oxan-4-yl)-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 57423544
(2S)-3-(oxan-4-yloxy)-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]propanoic acid
CID 11555417
(2S)-1-[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 91273007
methyl (2S)-3-methoxy-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]butanoate
CID 69349285
lithium;(2S)-2-[[3-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-cyclohexylacetic acid;hydroxide;hydrate
CID 159733827
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 69349640
methyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]butanoate
CID 69349237
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide (CID 58994763) is N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide is Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NCC2CCCCC2)c(C)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
The InChIKey is XRXGJGRQQWHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-18-13-19(2)26(20(3)14-18)31-28(33)30-25-16-23-12-8-7-11-22(23)15-24(25)27(32)29-17-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3,(H,29,32)(H2,30,31,33).
What are the key properties of N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide?
N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 6.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide is sourced from PubChem (CID 58994763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).