1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea

C16H26N2O3 — CID 108868142

IUPAC1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCCCCOCCCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-3-4-11-21-12-5-10-17-16(19)18-13-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H2,17,18,19)
InChIKeyQDPCBYWJGOXUKJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.70
Rot. Bonds10

About 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea

1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868142) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868142
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCCCCOCCCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-3-4-11-21-12-5-10-17-16(19)18-13-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H2,17,18,19)
InChIKeyQDPCBYWJGOXUKJ-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111239711
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
CID 60591566
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111240220
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea (CID 108868142) is 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea is CCCCOCCCNC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is QDPCBYWJGOXUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-4-11-21-12-5-10-17-16(19)18-13-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).