3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea

C18H26N4O2 — CID 75518103

IUPAC3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(C)C(=O)NC(C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-12(2)11-22(4)18(24)19-13(3)14-5-7-15(8-6-14)20-17(23)21-16-9-10-16/h5-8,13,16H,1,9-11H2,2-4H3,(H,19,24)(H2,20,21,23)
InChIKeyQIKZAMYHUBSAPF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.25
Rot. Bonds6

About 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea

3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea (PubChem CID 75518103) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea
PubChem CID75518103
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(C)C(=O)NC(C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-12(2)11-22(4)18(24)19-13(3)14-5-7-15(8-6-14)20-17(23)21-16-9-10-16/h5-8,13,16H,1,9-11H2,2-4H3,(H,19,24)(H2,20,21,23)
InChIKeyQIKZAMYHUBSAPF-UHFFFAOYSA-N
XLogP3.25
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
CID 119735214
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97317392
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
CID 75428567
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
CID 129359325
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
(2S)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1,4-dioxane-2-carboxamide
CID 94002410

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea (CID 75518103) is 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(C)C(=O)NC(C)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is QIKZAMYHUBSAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)11-22(4)18(24)19-13(3)14-5-7-15(8-6-14)20-17(23)21-16-9-10-16/h5-8,13,16H,1,9-11H2,2-4H3,(H,19,24)(H2,20,21,23).
What are the key properties of 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea?
3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 75518103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).