N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C18H26N2O — CID 115912185

IUPACN-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCc1ccc(N)c(NC(=O)C2CCC3CCCCC3C2)c1
InChIInChI=1S/C18H26N2O/c1-12-6-9-16(19)17(10-12)20-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h6,9-10,13-15H,2-5,7-8,11,19H2,1H3,(H,20,21)
InChIKeyVTLGLNXIGSMGJM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.12
Rot. Bonds2

About N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 115912185) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID115912185
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCc1ccc(N)c(NC(=O)C2CCC3CCCCC3C2)c1
InChIInChI=1S/C18H26N2O/c1-12-6-9-16(19)17(10-12)20-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h6,9-10,13-15H,2-5,7-8,11,19H2,1H3,(H,20,21)
InChIKeyVTLGLNXIGSMGJM-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-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

N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 112557420
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 115910697
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
CID 112557540
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82756821
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 115912185) is N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is Cc1ccc(N)c(NC(=O)C2CCC3CCCCC3C2)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is VTLGLNXIGSMGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-6-9-16(19)17(10-12)20-18(21)15-8-7-13-4-2-3-5-14(13)11-15/h6,9-10,13-15H,2-5,7-8,11,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 115912185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).