1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea

C13H21N3O — CID 43164862

IUPAC1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
SMILESCCNC(=O)N(CCCN)c1ccccc1C
InChIInChI=1S/C13H21N3O/c1-3-15-13(17)16(10-6-9-14)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10,14H2,1-2H3,(H,15,17)
InChIKeyKPJQDMZBOYVQKO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds5

About 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea

1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea (PubChem CID 43164862) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
PubChem CID43164862
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
SMILESCCNC(=O)N(CCCN)c1ccccc1C
InChIInChI=1S/C13H21N3O/c1-3-15-13(17)16(10-6-9-14)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10,14H2,1-2H3,(H,15,17)
InChIKeyKPJQDMZBOYVQKO-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
1-(3-aminopropyl)-3-ethyl-1-(2-fluorophenyl)urea
CID 43164865
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
1-(2-methylphenyl)-1,3-dioctadecylurea
CID 141260118
N-(3-aminopropyl)-N-(2-methylphenyl)-2-propoxyacetamide
CID 107937233
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 43318651
1-(2-methoxyethyl)-3-[6-[[2-methoxyethyl-(2-methylphenyl)carbamoyl]amino]hexyl]-1-(2-methylphenyl)urea
CID 3841636
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 61486808

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea (CID 43164862) is 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea is CCNC(=O)N(CCCN)c1ccccc1C.
What is the InChIKey of 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea?
The InChIKey is KPJQDMZBOYVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-15-13(17)16(10-6-9-14)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea?
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea has a molecular weight of 235.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea is sourced from PubChem (CID 43164862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).