tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate

C18H30N2O2 — CID 123267739

IUPACtert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CCN)CCCc1ccccc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20(4)16(13-14-19)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14,19H2,1-4H3
InChIKeyCDYHJVBVZLJHOQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.59
Rot. Bonds7

About tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate

tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate (PubChem CID 123267739) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate
PubChem CID123267739
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CCN)CCCc1ccccc1
InChIInChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20(4)16(13-14-19)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14,19H2,1-4H3
InChIKeyCDYHJVBVZLJHOQ-UHFFFAOYSA-N
XLogP3.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate 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-[(2S)-4-amino-1-phenylbutan-2-yl]-N-methylcarbamate
CID 59475149
tert-butyl N-[(2S)-1-[1,7-dipyridin-3-ylheptan-4-yl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 58699972
tert-butyl N-(7-aminoheptyl)-N-(2-phenylethyl)carbamate
CID 146018002
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 90122937
tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 69221436
(2S)-2-[1,4-diaminobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
CID 175077000
ditert-butyl 2-(2-phenylethyl)butanedioate
CID 57202086
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl 3-phenylpropyl carbonate
CID 24789021
tert-butyl N-[(2R)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 54358970
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 56923716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate (CID 123267739) is tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(CCN)CCCc1ccccc1.
What is the InChIKey of tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate?
The InChIKey is CDYHJVBVZLJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-18(2,3)22-17(21)20(4)16(13-14-19)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14,19H2,1-4H3.
What are the key properties of tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate?
tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate has a molecular weight of 306.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate is sourced from PubChem (CID 123267739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).