N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide

C30H32N2O2 — CID 18739892

IUPACN-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)NC1CCCCC1NC(O)c1c(C)ccc2ccccc12
InChIInChI=1S/C30H32N2O2/c1-19-15-17-21-9-3-5-11-23(21)27(19)29(33)31-25-13-7-8-14-26(25)32-30(34)28-20(2)16-18-22-10-4-6-12-24(22)28/h3-6,9-12,15-18,25-26,29,31,33H,7-8,13-14H2,1-2H3,(H,32,34)
InChIKeyKDIFJZZJFYNEQZ-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.93
Rot. Bonds5

About N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide

N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide (PubChem CID 18739892) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide
PubChem CID18739892
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC NameN-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide
SMILESCc1ccc2ccccc2c1C(=O)NC1CCCCC1NC(O)c1c(C)ccc2ccccc12
InChIInChI=1S/C30H32N2O2/c1-19-15-17-21-9-3-5-11-23(21)27(19)29(33)31-25-13-7-8-14-26(25)32-30(34)28-20(2)16-18-22-10-4-6-12-24(22)28/h3-6,9-12,15-18,25-26,29,31,33H,7-8,13-14H2,1-2H3,(H,32,34)
InChIKeyKDIFJZZJFYNEQZ-UHFFFAOYSA-N
XLogP5.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-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

1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
CID 81432915
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
1-hydroxy-N-(2-hydroxycyclohexyl)naphthalene-2-carboxamide
CID 62365090
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone
CID 81429349
2-cyclohexyl-N-methyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429025
N-[(1S,2R)-2-methylcyclohexyl]-3-oxobenzo[f]chromene-2-carboxamide
CID 900146
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(2-methylnaphthalen-1-yl)methanone
CID 171949043
2-[bromo-(2-methylnaphthalen-1-yl)methyl]oxane
CID 81431949
2-cyclopentyl-N-ethyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429431
1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412

Frequently Asked Questions

What is the IUPAC name of N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide (CID 18739892) is N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)NC1CCCCC1NC(O)c1c(C)ccc2ccccc12.
What is the InChIKey of N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide?
The InChIKey is KDIFJZZJFYNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c1-19-15-17-21-9-3-5-11-23(21)27(19)29(33)31-25-13-7-8-14-26(25)32-30(34)28-20(2)16-18-22-10-4-6-12-24(22)28/h3-6,9-12,15-18,25-26,29,31,33H,7-8,13-14H2,1-2H3,(H,32,34).
What are the key properties of N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide?
N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[hydroxy-(2-methylnaphthalen-1-yl)methyl]amino]cyclohexyl]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 18739892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).