methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate

C12H16N2O4 — CID 14922045

IUPACmethyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
SMILESCOC(=O)NNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C12H16N2O4/c1-17-10-6-3-9(4-7-10)5-8-11(15)13-14-12(16)18-2/h3-4,6-7H,5,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFPQDLTYHGSMRQF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.01
Rot. Bonds4

About methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate

methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate (PubChem CID 14922045) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
PubChem CID14922045
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
SMILESCOC(=O)NNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C12H16N2O4/c1-17-10-6-3-9(4-7-10)5-8-11(15)13-14-12(16)18-2/h3-4,6-7H,5,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFPQDLTYHGSMRQF-UHFFFAOYSA-N
XLogP1.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032
1-cyclopentyl-3-[3-(4-methoxyphenyl)propanoylamino]thiourea
CID 971187
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate?
The IUPAC name of methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate (CID 14922045) is methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate.
What is the SMILES notation for methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate?
The canonical SMILES for methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate is COC(=O)NNC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate?
The InChIKey is FPQDLTYHGSMRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-10-6-3-9(4-7-10)5-8-11(15)13-14-12(16)18-2/h3-4,6-7H,5,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate?
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate has a molecular weight of 252.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate is sourced from PubChem (CID 14922045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).