ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate

C13H18N2O4 — CID 31100769

IUPACethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
SMILESCCOC(=O)NNC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C13H18N2O4/c1-3-19-13(17)15-14-12(16)8-7-10-5-4-6-11(9-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNOUCNXYZYPIMBV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.41
Rot. Bonds5

About ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate

ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate (PubChem CID 31100769) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
PubChem CID31100769
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
SMILESCCOC(=O)NNC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C13H18N2O4/c1-3-19-13(17)15-14-12(16)8-7-10-5-4-6-11(9-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNOUCNXYZYPIMBV-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.41
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

N'-[2-(3-methoxyphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3128415
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
ethyl (E)-3-[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]prop-2-enoate
CID 34481370
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
4-(3-methoxyphenyl)-1-(methylamino)butan-2-one
CID 112517732

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate?
The IUPAC name of ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate (CID 31100769) is ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate.
What is the SMILES notation for ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate?
The canonical SMILES for ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate is CCOC(=O)NNC(=O)CCc1cccc(OC)c1.
What is the InChIKey of ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate?
The InChIKey is NOUCNXYZYPIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-13(17)15-14-12(16)8-7-10-5-4-6-11(9-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate?
ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate is sourced from PubChem (CID 31100769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).