1-(1-anilino-2-methylpropan-2-yl)-3-methylurea

C12H19N3O — CID 142040986

IUPAC1-(1-anilino-2-methylpropan-2-yl)-3-methylurea
SMILESCNC(=O)NC(C)(C)CNc1ccccc1
InChIInChI=1S/C12H19N3O/c1-12(2,15-11(16)13-3)9-14-10-7-5-4-6-8-10/h4-8,14H,9H2,1-3H3,(H2,13,15,16)
InChIKeyQJMMUHKJTJREKO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds4

About 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea

1-(1-anilino-2-methylpropan-2-yl)-3-methylurea (PubChem CID 142040986) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-anilino-2-methylpropan-2-yl)-3-methylurea
PubChem CID142040986
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-anilino-2-methylpropan-2-yl)-3-methylurea
SMILESCNC(=O)NC(C)(C)CNc1ccccc1
InChIInChI=1S/C12H19N3O/c1-12(2,15-11(16)13-3)9-14-10-7-5-4-6-8-10/h4-8,14H,9H2,1-3H3,(H2,13,15,16)
InChIKeyQJMMUHKJTJREKO-UHFFFAOYSA-N
XLogP1.81
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-anilino-2,2-dimethylpropanoic acid
CID 13028386
1-methyl-3-phenylurea;propane
CID 142949663
1-methyl-3-tritylurea
CID 167052887
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
CID 23065812
CID 23065812
1-anilino-3-methylurea;ethane
CID 143768639
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614

Frequently Asked Questions

What is the IUPAC name of 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea?
The IUPAC name of 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea (CID 142040986) is 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea.
What is the SMILES notation for 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea?
The canonical SMILES for 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea is CNC(=O)NC(C)(C)CNc1ccccc1.
What is the InChIKey of 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea?
The InChIKey is QJMMUHKJTJREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,15-11(16)13-3)9-14-10-7-5-4-6-8-10/h4-8,14H,9H2,1-3H3,(H2,13,15,16).
What are the key properties of 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea?
1-(1-anilino-2-methylpropan-2-yl)-3-methylurea has a molecular weight of 221.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilino-2-methylpropan-2-yl)-3-methylurea is sourced from PubChem (CID 142040986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).