[3-(1-cyclopropylethylamino)phenyl]urea

C12H17N3O — CID 43744613

IUPAC[3-(1-cyclopropylethylamino)phenyl]urea
SMILESCC(Nc1cccc(NC(N)=O)c1)C1CC1
InChIInChI=1S/C12H17N3O/c1-8(9-5-6-9)14-10-3-2-4-11(7-10)15-12(13)16/h2-4,7-9,14H,5-6H2,1H3,(H3,13,15,16)
InChIKeyMHROFWNRPHWFCB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.39
Rot. Bonds4

About [3-(1-cyclopropylethylamino)phenyl]urea

[3-(1-cyclopropylethylamino)phenyl]urea (PubChem CID 43744613) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [3-(1-cyclopropylethylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(1-cyclopropylethylamino)phenyl]urea
PubChem CID43744613
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[3-(1-cyclopropylethylamino)phenyl]urea
SMILESCC(Nc1cccc(NC(N)=O)c1)C1CC1
InChIInChI=1S/C12H17N3O/c1-8(9-5-6-9)14-10-3-2-4-11(7-10)15-12(13)16/h2-4,7-9,14H,5-6H2,1H3,(H3,13,15,16)
InChIKeyMHROFWNRPHWFCB-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
[3-(methylamino)phenyl]urea
CID 23558981
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
CID 47138042

Frequently Asked Questions

What is the IUPAC name of [3-(1-cyclopropylethylamino)phenyl]urea?
The IUPAC name of [3-(1-cyclopropylethylamino)phenyl]urea (CID 43744613) is [3-(1-cyclopropylethylamino)phenyl]urea.
What is the SMILES notation for [3-(1-cyclopropylethylamino)phenyl]urea?
The canonical SMILES for [3-(1-cyclopropylethylamino)phenyl]urea is CC(Nc1cccc(NC(N)=O)c1)C1CC1.
What is the InChIKey of [3-(1-cyclopropylethylamino)phenyl]urea?
The InChIKey is MHROFWNRPHWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(9-5-6-9)14-10-3-2-4-11(7-10)15-12(13)16/h2-4,7-9,14H,5-6H2,1H3,(H3,13,15,16).
What are the key properties of [3-(1-cyclopropylethylamino)phenyl]urea?
[3-(1-cyclopropylethylamino)phenyl]urea has a molecular weight of 219.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopropylethylamino)phenyl]urea is sourced from PubChem (CID 43744613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).