1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea

C13H20N2O3 — CID 94812234

IUPAC1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCCOc1ccccc1NC(=O)N[C@@H](C)COC
InChIInChI=1S/C13H20N2O3/c1-4-18-12-8-6-5-7-11(12)15-13(16)14-10(2)9-17-3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyBEIKGZDHFULPQK-JTQLQIEISA-N
MW252.31 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea

1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea (PubChem CID 94812234) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
PubChem CID94812234
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCCOc1ccccc1NC(=O)N[C@@H](C)COC
InChIInChI=1S/C13H20N2O3/c1-4-18-12-8-6-5-7-11(12)15-13(16)14-10(2)9-17-3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyBEIKGZDHFULPQK-JTQLQIEISA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-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-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea (CID 94812234) is 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea is CCOc1ccccc1NC(=O)N[C@@H](C)COC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
The InChIKey is BEIKGZDHFULPQK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-12-8-6-5-7-11(12)15-13(16)14-10(2)9-17-3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)/t10-/m0/s1.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea?
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea has a molecular weight of 252.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 94812234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).