1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea

C13H18N2O — CID 108910466

IUPAC1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1cccc(C)c1
InChIInChI=1S/C13H18N2O/c1-10(2)15-13(16)14-8-7-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3,(H2,14,15,16)
InChIKeyIWKPVHPWSMKYKL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea

1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea (PubChem CID 108910466) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
PubChem CID108910466
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NCCc1cccc(C)c1
InChIInChI=1S/C13H18N2O/c1-10(2)15-13(16)14-8-7-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3,(H2,14,15,16)
InChIKeyIWKPVHPWSMKYKL-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
CID 60610481
1-[2-(4-bromophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910473
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea (CID 108910466) is 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NCCc1cccc(C)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea?
The InChIKey is IWKPVHPWSMKYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)15-13(16)14-8-7-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea?
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea has a molecular weight of 218.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).