1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea

C14H23N3O2 — CID 43136229

IUPAC1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
SMILESCCCNC(=O)N(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C14H23N3O2/c1-3-10-16-14(18)17(11-4-9-15)12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18)
InChIKeyAQRSBKHHDSRIRN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.97
Rot. Bonds7

About 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea

1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea (PubChem CID 43136229) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
PubChem CID43136229
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
SMILESCCCNC(=O)N(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C14H23N3O2/c1-3-10-16-14(18)17(11-4-9-15)12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18)
InChIKeyAQRSBKHHDSRIRN-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
CID 107970800
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea
CID 3059255

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea?
The IUPAC name of 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea (CID 43136229) is 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea is CCCNC(=O)N(CCCN)c1ccc(OC)cc1.
What is the InChIKey of 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea?
The InChIKey is AQRSBKHHDSRIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-10-16-14(18)17(11-4-9-15)12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea?
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea has a molecular weight of 265.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea is sourced from PubChem (CID 43136229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).