1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea

C16H22N2O2 — CID 64521431

IUPAC1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1cccc(NC(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-11(19)13-3-2-4-14(9-13)17-16(20)18(15-7-8-15)10-12-5-6-12/h2-4,9,11-12,15,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyXJMPWTDFZXWOGO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.15
Rot. Bonds5

About 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 64521431) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID64521431
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1cccc(NC(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-11(19)13-3-2-4-14(9-13)17-16(20)18(15-7-8-15)10-12-5-6-12/h2-4,9,11-12,15,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyXJMPWTDFZXWOGO-UHFFFAOYSA-N
XLogP3.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
CID 63939898
1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415055
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
1,1-bis(cyanomethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339790
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63657389
3-[3-(1-aminoethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102869480
1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61438276
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 64521431) is 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea is CC(O)c1cccc(NC(=O)N(CC2CC2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is XJMPWTDFZXWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)13-3-2-4-14(9-13)17-16(20)18(15-7-8-15)10-12-5-6-12/h2-4,9,11-12,15,19H,5-8,10H2,1H3,(H,17,20).
What are the key properties of 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 274.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 64521431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).