1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea

C14H21N3O — CID 91661600

IUPAC1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1ccccc1N(C)CC
InChIInChI=1S/C14H21N3O/c1-5-17(4)13-9-7-6-8-12(13)16-14(18)15-10-11(2)3/h6-9H,2,5,10H2,1,3-4H3,(H2,15,16,18)
InChIKeyANWSWCNYUVLCKF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea

1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea (PubChem CID 91661600) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
PubChem CID91661600
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1ccccc1N(C)CC
InChIInChI=1S/C14H21N3O/c1-5-17(4)13-9-7-6-8-12(13)16-14(18)15-10-11(2)3/h6-9H,2,5,10H2,1,3-4H3,(H2,15,16,18)
InChIKeyANWSWCNYUVLCKF-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
CID 129422140
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
N-[[2-[ethyl(methyl)amino]phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 56803385
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
CID 47248219
1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
CID 111117127
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 51003799

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea (CID 91661600) is 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)Nc1ccccc1N(C)CC.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea?
The InChIKey is ANWSWCNYUVLCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-17(4)13-9-7-6-8-12(13)16-14(18)15-10-11(2)3/h6-9H,2,5,10H2,1,3-4H3,(H2,15,16,18).
What are the key properties of 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea?
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 91661600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).