1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea

C16H26N2O2 — CID 110307723

IUPAC1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
SMILESCOc1ccc(CCCNC(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)10-12-18-16(19)17-11-4-5-14-6-8-15(20-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H2,17,18,19)
InChIKeyRVCVCODCSPZDRS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.97
Rot. Bonds8

About 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea

1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea (PubChem CID 110307723) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
PubChem CID110307723
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
SMILESCOc1ccc(CCCNC(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)10-12-18-16(19)17-11-4-5-14-6-8-15(20-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H2,17,18,19)
InChIKeyRVCVCODCSPZDRS-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
CID 110307825
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110307112
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 134042561
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea (CID 110307723) is 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea is COc1ccc(CCCNC(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea?
The InChIKey is RVCVCODCSPZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)10-12-18-16(19)17-11-4-5-14-6-8-15(20-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea?
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 110307723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).