[3-(3-methylbutylamino)phenyl]urea

C12H19N3O — CID 43744542

IUPAC[3-(3-methylbutylamino)phenyl]urea
SMILESCC(C)CCNc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-9(2)6-7-14-10-4-3-5-11(8-10)15-12(13)16/h3-5,8-9,14H,6-7H2,1-2H3,(H3,13,15,16)
InChIKeyUSKBIINEOQTBPY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.64
Rot. Bonds5

About [3-(3-methylbutylamino)phenyl]urea

[3-(3-methylbutylamino)phenyl]urea (PubChem CID 43744542) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-(3-methylbutylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(3-methylbutylamino)phenyl]urea
PubChem CID43744542
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[3-(3-methylbutylamino)phenyl]urea
SMILESCC(C)CCNc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-9(2)6-7-14-10-4-3-5-11(8-10)15-12(13)16/h3-5,8-9,14H,6-7H2,1-2H3,(H3,13,15,16)
InChIKeyUSKBIINEOQTBPY-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
3-N-(2-aminoethyl)-1-N-(3-methylbutyl)benzene-1,3-diamine
CID 170004129
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
[3-(methylamino)phenyl]urea
CID 23558981
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
3-(3-methylbutylamino)benzenecarboximidamide
CID 70080138
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutylamino)phenyl]urea?
The IUPAC name of [3-(3-methylbutylamino)phenyl]urea (CID 43744542) is [3-(3-methylbutylamino)phenyl]urea.
What is the SMILES notation for [3-(3-methylbutylamino)phenyl]urea?
The canonical SMILES for [3-(3-methylbutylamino)phenyl]urea is CC(C)CCNc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-(3-methylbutylamino)phenyl]urea?
The InChIKey is USKBIINEOQTBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)6-7-14-10-4-3-5-11(8-10)15-12(13)16/h3-5,8-9,14H,6-7H2,1-2H3,(H3,13,15,16).
What are the key properties of [3-(3-methylbutylamino)phenyl]urea?
[3-(3-methylbutylamino)phenyl]urea has a molecular weight of 221.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutylamino)phenyl]urea is sourced from PubChem (CID 43744542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).