tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate

C28H35N3O3 — CID 58982171

IUPACtert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCCC(=O)Nc1ccccc1N)Cc1ccc2ccccc2c1
InChIInChI=1S/C28H35N3O3/c1-28(2,3)34-27(33)31(20-21-16-17-22-11-6-7-12-23(22)19-21)18-10-4-5-15-26(32)30-25-14-9-8-13-24(25)29/h6-9,11-14,16-17,19H,4-5,10,15,18,20,29H2,1-3H3,(H,30,32)
InChIKeyWUWMDLKCLCHMSP-UHFFFAOYSA-N
MW461.61 g/mol
LogP6.36
Rot. Bonds9

About tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate

tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate (PubChem CID 58982171) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate
PubChem CID58982171
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Nametert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCCC(=O)Nc1ccccc1N)Cc1ccc2ccccc2c1
InChIInChI=1S/C28H35N3O3/c1-28(2,3)34-27(33)31(20-21-16-17-22-11-6-7-12-23(22)19-21)18-10-4-5-15-26(32)30-25-14-9-8-13-24(25)29/h6-9,11-14,16-17,19H,4-5,10,15,18,20,29H2,1-3H3,(H,30,32)
InChIKeyWUWMDLKCLCHMSP-UHFFFAOYSA-N
XLogP6.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate 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

6-[(2-methylpropan-2-yl)oxycarbonyl-(naphthalen-2-ylmethyl)amino]-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 170334370
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-[4-[(2-amino-6-fluoro-3-pyridinyl)amino]-4-oxobutyl]-N-[(3,5-dichlorophenyl)methyl]carbamate
CID 130474678
benzene-1,2-diamine;tert-butyl N-[3-(2-aminoanilino)-3-oxopropyl]carbamate
CID 162109745
N-(2-aminophenyl)octadecanamide
CID 68839220
N-[6-(2-aminoanilino)-6-oxohexyl]-N-[2-[(3,5-dimethylphenyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 155517418
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-hexylcarbamate
CID 142731263
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
tert-butyl N-[(3,5-ditert-butylphenyl)methyl]-N-[5-[[3-(3,5-dimethylanilino)-3-oxopropyl]amino]-5-oxopentyl]carbamate
CID 46221208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate (CID 58982171) is tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate is CC(C)(C)OC(=O)N(CCCCCC(=O)Nc1ccccc1N)Cc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate?
The InChIKey is WUWMDLKCLCHMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-28(2,3)34-27(33)31(20-21-16-17-22-11-6-7-12-23(22)19-21)18-10-4-5-15-26(32)30-25-14-9-8-13-24(25)29/h6-9,11-14,16-17,19H,4-5,10,15,18,20,29H2,1-3H3,(H,30,32).
What are the key properties of tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate?
tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate has a molecular weight of 461.61 g/mol, XLogP of 6.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-aminoanilino)-6-oxohexyl]-N-(naphthalen-2-ylmethyl)carbamate is sourced from PubChem (CID 58982171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).