(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate

C14H22N2O2 — CID 79338375

IUPAC(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
SMILESCCC(N)(CC)COC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(15,5-2)10-18-13(17)16-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyOIDZMOZVDQZHMF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.06
Rot. Bonds5

About (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate

(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate (PubChem CID 79338375) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
PubChem CID79338375
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
SMILESCCC(N)(CC)COC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-14(15,5-2)10-18-13(17)16-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3,(H,16,17)
InChIKeyOIDZMOZVDQZHMF-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-amino-2-ethylbutyl) N-(3-methylphenyl)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

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
(2-amino-2-ethylbutyl) N-(2,5-dichlorophenyl)carbamate
CID 79337552
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate?
The IUPAC name of (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate (CID 79338375) is (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate.
What is the SMILES notation for (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate?
The canonical SMILES for (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate is CCC(N)(CC)COC(=O)Nc1cccc(C)c1.
What is the InChIKey of (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate?
The InChIKey is OIDZMOZVDQZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(15,5-2)10-18-13(17)16-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3,(H,16,17).
What are the key properties of (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate?
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate is sourced from PubChem (CID 79338375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).