1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea

C14H23N3O — CID 113283188

IUPAC1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
SMILESCCC(N)(CC)CNC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H23N3O/c1-4-14(15,5-2)10-16-13(18)17-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3,(H2,16,17,18)
InChIKeyWTWMRQNIQNSAKD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds5

About 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea

1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea (PubChem CID 113283188) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
PubChem CID113283188
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
SMILESCCC(N)(CC)CNC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H23N3O/c1-4-14(15,5-2)10-16-13(18)17-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3,(H2,16,17,18)
InChIKeyWTWMRQNIQNSAKD-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea (CID 113283188) is 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea is CCC(N)(CC)CNC(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea?
The InChIKey is WTWMRQNIQNSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(15,5-2)10-16-13(18)17-12-8-6-7-11(3)9-12/h6-9H,4-5,10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea?
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea has a molecular weight of 249.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 113283188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).