1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea

C15H25N3O2 — CID 111414572

IUPAC1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCc1ccc(N(C)C)cc1C
InChIInChI=1S/C15H25N3O2/c1-5-13(10-19)17-15(20)16-9-12-6-7-14(18(3)4)8-11(12)2/h6-8,13,19H,5,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyPMGOJUJGCBJYRA-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.63
Rot. Bonds6

About 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea

1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111414572) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID111414572
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCc1ccc(N(C)C)cc1C
InChIInChI=1S/C15H25N3O2/c1-5-13(10-19)17-15(20)16-9-12-6-7-14(18(3)4)8-11(12)2/h6-8,13,19H,5,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyPMGOJUJGCBJYRA-UHFFFAOYSA-N
XLogP1.63
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea 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-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(2-hydroxypentyl)urea
CID 111414566
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892419
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110910378
4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 75389175
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111506383
4-[[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020873
4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020693
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea (CID 111414572) is 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NCc1ccc(N(C)C)cc1C.
What is the InChIKey of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is PMGOJUJGCBJYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13(10-19)17-15(20)16-9-12-6-7-14(18(3)4)8-11(12)2/h6-8,13,19H,5,9-10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea?
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 279.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111414572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).