1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea

C14H20N2O3 — CID 60733422

IUPAC1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(17)9-15-13(18)16-10-6-5-7-11(8-10)19-4/h5-8H,9H2,1-4H3,(H2,15,16,18)
InChIKeyKYYYSTQDMHWSLZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds4

About 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea

1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea (PubChem CID 60733422) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
PubChem CID60733422
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(17)9-15-13(18)16-10-6-5-7-11(8-10)19-4/h5-8H,9H2,1-4H3,(H2,15,16,18)
InChIKeyKYYYSTQDMHWSLZ-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)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

N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
2-[(3-methoxyphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51488436
1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
CID 95980205
1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
CID 103839105
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea (CID 60733422) is 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCC(=O)C(C)(C)C)c1.
What is the InChIKey of 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea?
The InChIKey is KYYYSTQDMHWSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)12(17)9-15-13(18)16-10-6-5-7-11(8-10)19-4/h5-8H,9H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea?
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 60733422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).