tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate

C18H30N2O2 — CID 107251337

IUPACtert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)c1cccc(C)c1
InChIInChI=1S/C18H30N2O2/c1-7-16(12-19-17(21)22-18(4,5)6)20-14(3)15-10-8-9-13(2)11-15/h8-11,14,16,20H,7,12H2,1-6H3,(H,19,21)
InChIKeyHLPCQMWQOMXZAF-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.95
Rot. Bonds6

About tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate

tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate (PubChem CID 107251337) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
PubChem CID107251337
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)c1cccc(C)c1
InChIInChI=1S/C18H30N2O2/c1-7-16(12-19-17(21)22-18(4,5)6)20-14(3)15-10-8-9-13(2)11-15/h8-11,14,16,20H,7,12H2,1-6H3,(H,19,21)
InChIKeyHLPCQMWQOMXZAF-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]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

tert-butyl N-[2-[1-(2,6-difluorophenyl)ethylamino]butyl]carbamate
CID 107251177
tert-butyl N-[(E)-4-[1-(3-methylphenyl)ethylamino]but-2-enyl]carbamate
CID 107253277
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate
CID 103711119
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111660130
N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
methyl 3-[[(1R)-1-(3-methylphenyl)ethyl]amino]butanoate
CID 81360687
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate (CID 107251337) is tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC(C)c1cccc(C)c1.
What is the InChIKey of tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate?
The InChIKey is HLPCQMWQOMXZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-7-16(12-19-17(21)22-18(4,5)6)20-14(3)15-10-8-9-13(2)11-15/h8-11,14,16,20H,7,12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate?
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate is sourced from PubChem (CID 107251337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).