1-(4-aminophenyl)-3-(3-ethoxypropyl)urea

C12H19N3O2 — CID 43469047

IUPAC1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H19N3O2/c1-2-17-9-3-8-14-12(16)15-11-6-4-10(13)5-7-11/h4-7H,2-3,8-9,13H2,1H3,(H2,14,15,16)
InChIKeyVIMURWYVJDWKJB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds6

About 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea

1-(4-aminophenyl)-3-(3-ethoxypropyl)urea (PubChem CID 43469047) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
PubChem CID43469047
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H19N3O2/c1-2-17-9-3-8-14-12(16)15-11-6-4-10(13)5-7-11/h4-7H,2-3,8-9,13H2,1H3,(H2,14,15,16)
InChIKeyVIMURWYVJDWKJB-UHFFFAOYSA-N
XLogP1.82
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-butylurea
CID 28785616
2-(3-ethoxypropylcarbamoylamino)-N-(4-fluorophenyl)acetamide
CID 134003769
ethyl 4-(3-ethoxypropylcarbamothioylamino)benzoate
CID 4668305
1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
CID 106340062
N'-(4-aminophenyl)-N-(3-ethoxypropyl)-N'-phenyloxamide
CID 108505286
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
CID 82946717
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(3-ethoxypropyl)urea
CID 108872079
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea (CID 43469047) is 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea is CCOCCCNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea?
The InChIKey is VIMURWYVJDWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-9-3-8-14-12(16)15-11-6-4-10(13)5-7-11/h4-7H,2-3,8-9,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea?
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 43469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).