methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate

C15H22N2O4 — CID 60591566

IUPACmethyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
SMILESCOC(=O)CCCCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O4/c1-20-13-8-6-12(7-9-13)11-17-15(19)16-10-4-3-5-14(18)21-2/h6-9H,3-5,10-11H2,1-2H3,(H2,16,17,19)
InChIKeyONFKGAATSYOVSM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds8

About methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate

methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate (PubChem CID 60591566) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
PubChem CID60591566
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate
SMILESCOC(=O)CCCCNC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O4/c1-20-13-8-6-12(7-9-13)11-17-15(19)16-10-4-3-5-14(18)21-2/h6-9H,3-5,10-11H2,1-2H3,(H2,16,17,19)
InChIKeyONFKGAATSYOVSM-UHFFFAOYSA-N
XLogP1.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38276458
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
CID 46481594
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
methyl 7-[[N-[(4-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]heptanoate;hydroiodide
CID 111271718

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate?
The IUPAC name of methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate (CID 60591566) is methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate.
What is the SMILES notation for methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate?
The canonical SMILES for methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate is COC(=O)CCCCNC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate?
The InChIKey is ONFKGAATSYOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-8-6-12(7-9-13)11-17-15(19)16-10-4-3-5-14(18)21-2/h6-9H,3-5,10-11H2,1-2H3,(H2,16,17,19).
What are the key properties of methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate?
methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate has a molecular weight of 294.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxyphenyl)methylcarbamoylamino]pentanoate is sourced from PubChem (CID 60591566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).