1-(3-aminopentyl)-3-(3-methoxyphenyl)urea

C13H21N3O2 — CID 113498087

IUPAC1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
SMILESCCC(N)CCNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H21N3O2/c1-3-10(14)7-8-15-13(17)16-11-5-4-6-12(9-11)18-2/h4-6,9-10H,3,7-8,14H2,1-2H3,(H2,15,16,17)
InChIKeyRWRPRLHQEWAIRU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds6

About 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea

1-(3-aminopentyl)-3-(3-methoxyphenyl)urea (PubChem CID 113498087) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
PubChem CID113498087
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
SMILESCCC(N)CCNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H21N3O2/c1-3-10(14)7-8-15-13(17)16-11-5-4-6-12(9-11)18-2/h4-6,9-10H,3,7-8,14H2,1-2H3,(H2,15,16,17)
InChIKeyRWRPRLHQEWAIRU-UHFFFAOYSA-N
XLogP1.94
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 95980213
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
CID 47392400
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea (CID 113498087) is 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea is CCC(N)CCNC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea?
The InChIKey is RWRPRLHQEWAIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10(14)7-8-15-13(17)16-11-5-4-6-12(9-11)18-2/h4-6,9-10H,3,7-8,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea?
1-(3-aminopentyl)-3-(3-methoxyphenyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopentyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 113498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).