1-(2-aminophenyl)-3,3-diethyl-1-propylurea

C14H23N3O — CID 79154664

IUPAC1-(2-aminophenyl)-3,3-diethyl-1-propylurea
SMILESCCCN(C(=O)N(CC)CC)c1ccccc1N
InChIInChI=1S/C14H23N3O/c1-4-11-17(14(18)16(5-2)6-3)13-10-8-7-9-12(13)15/h7-10H,4-6,11,15H2,1-3H3
InChIKeyFVDPLRZHGHZBNI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-aminophenyl)-3,3-diethyl-1-propylurea

1-(2-aminophenyl)-3,3-diethyl-1-propylurea (PubChem CID 79154664) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3,3-diethyl-1-propylurea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3,3-diethyl-1-propylurea
PubChem CID79154664
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(2-aminophenyl)-3,3-diethyl-1-propylurea
SMILESCCCN(C(=O)N(CC)CC)c1ccccc1N
InChIInChI=1S/C14H23N3O/c1-4-11-17(14(18)16(5-2)6-3)13-10-8-7-9-12(13)15/h7-10H,4-6,11,15H2,1-3H3
InChIKeyFVDPLRZHGHZBNI-UHFFFAOYSA-N
XLogP2.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000282
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
CID 79985121
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
CID 63230441
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3,3-diethyl-1-propylurea?
The IUPAC name of 1-(2-aminophenyl)-3,3-diethyl-1-propylurea (CID 79154664) is 1-(2-aminophenyl)-3,3-diethyl-1-propylurea.
What is the SMILES notation for 1-(2-aminophenyl)-3,3-diethyl-1-propylurea?
The canonical SMILES for 1-(2-aminophenyl)-3,3-diethyl-1-propylurea is CCCN(C(=O)N(CC)CC)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3,3-diethyl-1-propylurea?
The InChIKey is FVDPLRZHGHZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11-17(14(18)16(5-2)6-3)13-10-8-7-9-12(13)15/h7-10H,4-6,11,15H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-3,3-diethyl-1-propylurea?
1-(2-aminophenyl)-3,3-diethyl-1-propylurea has a molecular weight of 249.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3,3-diethyl-1-propylurea is sourced from PubChem (CID 79154664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).