1-(3-aminophenyl)-3-ethyl-1-propylurea

C12H19N3O — CID 63230299

IUPAC1-(3-aminophenyl)-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)c1cccc(N)c1
InChIInChI=1S/C12H19N3O/c1-3-8-15(12(16)14-4-2)11-7-5-6-10(13)9-11/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,16)
InChIKeyNTMKBTDQDPHVRW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-aminophenyl)-3-ethyl-1-propylurea

1-(3-aminophenyl)-3-ethyl-1-propylurea (PubChem CID 63230299) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-ethyl-1-propylurea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-ethyl-1-propylurea
PubChem CID63230299
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(3-aminophenyl)-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)c1cccc(N)c1
InChIInChI=1S/C12H19N3O/c1-3-8-15(12(16)14-4-2)11-7-5-6-10(13)9-11/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,16)
InChIKeyNTMKBTDQDPHVRW-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
CID 102801161
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80643965

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-ethyl-1-propylurea?
The IUPAC name of 1-(3-aminophenyl)-3-ethyl-1-propylurea (CID 63230299) is 1-(3-aminophenyl)-3-ethyl-1-propylurea.
What is the SMILES notation for 1-(3-aminophenyl)-3-ethyl-1-propylurea?
The canonical SMILES for 1-(3-aminophenyl)-3-ethyl-1-propylurea is CCCN(C(=O)NCC)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-ethyl-1-propylurea?
The InChIKey is NTMKBTDQDPHVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-8-15(12(16)14-4-2)11-7-5-6-10(13)9-11/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(3-aminophenyl)-3-ethyl-1-propylurea?
1-(3-aminophenyl)-3-ethyl-1-propylurea has a molecular weight of 221.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-ethyl-1-propylurea is sourced from PubChem (CID 63230299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).