3-(N-ethylanilino)propylurea

C12H19N3O — CID 112708177

IUPAC3-(N-ethylanilino)propylurea
SMILESCCN(CCCNC(N)=O)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-2-15(10-6-9-14-12(13)16)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,13,14,16)
InChIKeyZQNHMGOFXZAATG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds6

About 3-(N-ethylanilino)propylurea

3-(N-ethylanilino)propylurea (PubChem CID 112708177) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(N-ethylanilino)propylurea.

Molecular Properties

Compound Name3-(N-ethylanilino)propylurea
PubChem CID112708177
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(N-ethylanilino)propylurea
SMILESCCN(CCCNC(N)=O)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-2-15(10-6-9-14-12(13)16)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,13,14,16)
InChIKeyZQNHMGOFXZAATG-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
CID 63679963
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148
4-(N-ethylanilino)butanoic acid
CID 11390560

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)propylurea?
The IUPAC name of 3-(N-ethylanilino)propylurea (CID 112708177) is 3-(N-ethylanilino)propylurea.
What is the SMILES notation for 3-(N-ethylanilino)propylurea?
The canonical SMILES for 3-(N-ethylanilino)propylurea is CCN(CCCNC(N)=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)propylurea?
The InChIKey is ZQNHMGOFXZAATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15(10-6-9-14-12(13)16)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H3,13,14,16).
What are the key properties of 3-(N-ethylanilino)propylurea?
3-(N-ethylanilino)propylurea has a molecular weight of 221.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)propylurea is sourced from PubChem (CID 112708177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).