1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea

C14H23N3O2 — CID 106153836

IUPAC1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCCC(C)CN
InChIInChI=1S/C14H23N3O2/c1-11(10-15)6-5-9-16-14(18)17-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10,15H2,1-2H3,(H2,16,17,18)
InChIKeyKDTKGUSNJRWYJI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.19
Rot. Bonds7

About 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea

1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea (PubChem CID 106153836) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea
PubChem CID106153836
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCCC(C)CN
InChIInChI=1S/C14H23N3O2/c1-11(10-15)6-5-9-16-14(18)17-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10,15H2,1-2H3,(H2,16,17,18)
InChIKeyKDTKGUSNJRWYJI-UHFFFAOYSA-N
XLogP2.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea (CID 106153836) is 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCCC(C)CN.
What is the InChIKey of 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea?
The InChIKey is KDTKGUSNJRWYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(10-15)6-5-9-16-14(18)17-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea?
1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 106153836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).