methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate

C15H22N2O5 — CID 11001393

IUPACmethyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
SMILESCOC(=O)NNC(=O)CCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-20-12-9-8-11(10-13(12)21-2)6-4-5-7-14(18)16-17-15(19)22-3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyODMGHQGJQLCBLN-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.80
Rot. Bonds7

About methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate

methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate (PubChem CID 11001393) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
PubChem CID11001393
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namemethyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
SMILESCOC(=O)NNC(=O)CCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-20-12-9-8-11(10-13(12)21-2)6-4-5-7-14(18)16-17-15(19)22-3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyODMGHQGJQLCBLN-UHFFFAOYSA-N
XLogP1.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
N'-[3-(3,4-dimethoxyphenyl)propanoyl]cyclopropanecarbohydrazide
CID 26798763
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate?
The IUPAC name of methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate (CID 11001393) is methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate.
What is the SMILES notation for methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate?
The canonical SMILES for methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate is COC(=O)NNC(=O)CCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate?
The InChIKey is ODMGHQGJQLCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-20-12-9-8-11(10-13(12)21-2)6-4-5-7-14(18)16-17-15(19)22-3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate?
methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate has a molecular weight of 310.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate is sourced from PubChem (CID 11001393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).