1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea

C15H22N2O4 — CID 97284865

IUPAC1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea
SMILESC=C(C)COc1ccccc1NC(=O)N(C)C[C@H](O)CO
InChIInChI=1S/C15H22N2O4/c1-11(2)10-21-14-7-5-4-6-13(14)16-15(20)17(3)8-12(19)9-18/h4-7,12,18-19H,1,8-10H2,2-3H3,(H,16,20)/t12-/m0/s1
InChIKeyZQHBYWWRCQMLMA-LBPRGKRZSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds7

About 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea

1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea (PubChem CID 97284865) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea
PubChem CID97284865
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea
SMILESC=C(C)COc1ccccc1NC(=O)N(C)C[C@H](O)CO
InChIInChI=1S/C15H22N2O4/c1-11(2)10-21-14-7-5-4-6-13(14)16-15(20)17(3)8-12(19)9-18/h4-7,12,18-19H,1,8-10H2,2-3H3,(H,16,20)/t12-/m0/s1
InChIKeyZQHBYWWRCQMLMA-LBPRGKRZSA-N
XLogP1.46
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 75397893
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
CID 17113349
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
1-(2,3-dihydroxypropyl)-3-[2-(3,5-dimethylpyrazolidin-4-yl)sulfanylphenyl]-1-methylurea
CID 134099261
1-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)-1-methylthiourea
CID 23820427
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
1-[(2S)-2,3-dihydroxypropyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-methylurea
CID 97285673
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea?
The IUPAC name of 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea (CID 97284865) is 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea.
What is the SMILES notation for 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea?
The canonical SMILES for 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea is C=C(C)COc1ccccc1NC(=O)N(C)C[C@H](O)CO.
What is the InChIKey of 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea?
The InChIKey is ZQHBYWWRCQMLMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)10-21-14-7-5-4-6-13(14)16-15(20)17(3)8-12(19)9-18/h4-7,12,18-19H,1,8-10H2,2-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea?
1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea has a molecular weight of 294.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dihydroxypropyl]-1-methyl-3-[2-(2-methylprop-2-enoxy)phenyl]urea is sourced from PubChem (CID 97284865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).