1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea

C14H21N3O — CID 62700602

IUPAC1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
SMILESCC(C)(CN)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O/c1-14(2,9-15)10-3-5-11(6-4-10)16-13(18)17-12-7-8-12/h3-6,12H,7-9,15H2,1-2H3,(H2,16,17,18)
InChIKeyGSCTVVUJSLWIJU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds4

About 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea

1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea (PubChem CID 62700602) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
PubChem CID62700602
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea
SMILESCC(C)(CN)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O/c1-14(2,9-15)10-3-5-11(6-4-10)16-13(18)17-12-7-8-12/h3-6,12H,7-9,15H2,1-2H3,(H2,16,17,18)
InChIKeyGSCTVVUJSLWIJU-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea (CID 62700602) is 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea is CC(C)(CN)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea?
The InChIKey is GSCTVVUJSLWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,9-15)10-3-5-11(6-4-10)16-13(18)17-12-7-8-12/h3-6,12H,7-9,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea?
1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea has a molecular weight of 247.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-cyclopropylurea is sourced from PubChem (CID 62700602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).