1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea

C12H17N3O — CID 63233875

IUPAC1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea
SMILESCCN(C(=O)NC1CC1)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O/c1-2-15(12(16)14-10-5-6-10)11-7-3-9(13)4-8-11/h3-4,7-8,10H,2,5-6,13H2,1H3,(H,14,16)
InChIKeyMSVCCPYLKTVULB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.97
Rot. Bonds3

About 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea

1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea (PubChem CID 63233875) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea
PubChem CID63233875
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea
SMILESCCN(C(=O)NC1CC1)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O/c1-2-15(12(16)14-10-5-6-10)11-7-3-9(13)4-8-11/h3-4,7-8,10H,2,5-6,13H2,1H3,(H,14,16)
InChIKeyMSVCCPYLKTVULB-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
1-(4-aminophenyl)-1-methyl-3-(1-methylpiperidin-4-yl)urea
CID 69068951
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
CID 104517341
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
CID 113176819
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
CID 61402704
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
CID 116658108
1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969498

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea?
The IUPAC name of 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea (CID 63233875) is 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea is CCN(C(=O)NC1CC1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea?
The InChIKey is MSVCCPYLKTVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15(12(16)14-10-5-6-10)11-7-3-9(13)4-8-11/h3-4,7-8,10H,2,5-6,13H2,1H3,(H,14,16).
What are the key properties of 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea?
1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea has a molecular weight of 219.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea is sourced from PubChem (CID 63233875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).