naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate

C32H34N2O3 — CID 67179801

IUPACnaphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
SMILESCC1(C)CC(NC(=O)Oc2ccc3ccccc3c2)CC(C)(CNC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C32H34N2O3/c1-31(2)18-27(34-30(36)37-28-15-14-23-9-5-7-11-25(23)17-28)19-32(3,20-31)21-33-29(35)26-13-12-22-8-4-6-10-24(22)16-26/h4-17,27H,18-21H2,1-3H3,(H,33,35)(H,34,36)
InChIKeyDURLLIHBKLRNMQ-UHFFFAOYSA-N
MW494.64 g/mol
LogP7.10
Rot. Bonds5

About naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate

naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate (PubChem CID 67179801) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
PubChem CID67179801
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Namenaphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
SMILESCC1(C)CC(NC(=O)Oc2ccc3ccccc3c2)CC(C)(CNC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C32H34N2O3/c1-31(2)18-27(34-30(36)37-28-15-14-23-9-5-7-11-25(23)17-28)19-32(3,20-31)21-33-29(35)26-13-12-22-8-4-6-10-24(22)16-26/h4-17,27H,18-21H2,1-3H3,(H,33,35)(H,34,36)
InChIKeyDURLLIHBKLRNMQ-UHFFFAOYSA-N
XLogP7.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 121431628
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
CID 4050363
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
CID 25387928
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 4676998
2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 25359572
2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide
CID 98389050
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate?
The IUPAC name of naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate (CID 67179801) is naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate.
What is the SMILES notation for naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate?
The canonical SMILES for naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate is CC1(C)CC(NC(=O)Oc2ccc3ccccc3c2)CC(C)(CNC(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate?
The InChIKey is DURLLIHBKLRNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-31(2)18-27(34-30(36)37-28-15-14-23-9-5-7-11-25(23)17-28)19-32(3,20-31)21-33-29(35)26-13-12-22-8-4-6-10-24(22)16-26/h4-17,27H,18-21H2,1-3H3,(H,33,35)(H,34,36).
What are the key properties of naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate?
naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate has a molecular weight of 494.64 g/mol, XLogP of 7.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 67179801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).