(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate

C15H24N2O3 — CID 67070108

IUPAC(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
SMILESCC(C)OCC(CCN)OC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-12(2)19-11-14(8-9-16)20-15(18)17-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyQQJFVIQJXMRTLX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.06
Rot. Bonds8

About (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate

(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate (PubChem CID 67070108) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
PubChem CID67070108
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
SMILESCC(C)OCC(CCN)OC(=O)NCc1ccccc1
InChIInChI=1S/C15H24N2O3/c1-12(2)19-11-14(8-9-16)20-15(18)17-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyQQJFVIQJXMRTLX-UHFFFAOYSA-N
XLogP2.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate 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-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
but-3-en-2-yl N-benzylcarbamate
CID 130012657
3-hydroxybutyl N-benzylcarbamate
CID 142744474
[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
benzene;ethyl N-benzylcarbamate
CID 67715166
[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate
CID 175144883
2-ethylpentyl N-benzylcarbamate
CID 58269941
1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
CID 123300594

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate?
The IUPAC name of (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate (CID 67070108) is (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate.
What is the SMILES notation for (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate?
The canonical SMILES for (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate is CC(C)OCC(CCN)OC(=O)NCc1ccccc1.
What is the InChIKey of (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate?
The InChIKey is QQJFVIQJXMRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)19-11-14(8-9-16)20-15(18)17-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18).
What are the key properties of (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate?
(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate has a molecular weight of 280.37 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate is sourced from PubChem (CID 67070108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).