1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea

C15H23N3O2 — CID 110891304

IUPAC1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)N(CCO)C2CC2)ccc1N(C)C
InChIInChI=1S/C15H23N3O2/c1-11-10-12(4-7-14(11)17(2)3)16-15(20)18(8-9-19)13-5-6-13/h4,7,10,13,19H,5-6,8-9H2,1-3H3,(H,16,20)
InChIKeyGBBJHMFFIROZAB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds5

About 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea (PubChem CID 110891304) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
PubChem CID110891304
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)N(CCO)C2CC2)ccc1N(C)C
InChIInChI=1S/C15H23N3O2/c1-11-10-12(4-7-14(11)17(2)3)16-15(20)18(8-9-19)13-5-6-13/h4,7,10,13,19H,5-6,8-9H2,1-3H3,(H,16,20)
InChIKeyGBBJHMFFIROZAB-UHFFFAOYSA-N
XLogP2.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
CID 110890918
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
CID 43429980
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896948
1-cyclopropyl-1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840828

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea (CID 110891304) is 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea is Cc1cc(NC(=O)N(CCO)C2CC2)ccc1N(C)C.
What is the InChIKey of 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is GBBJHMFFIROZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-10-12(4-7-14(11)17(2)3)16-15(20)18(8-9-19)13-5-6-13/h4,7,10,13,19H,5-6,8-9H2,1-3H3,(H,16,20).
What are the key properties of 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110891304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).