phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate

C13H18N2O3 — CID 60636579

IUPACphenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
SMILESCCCNC(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-9-14-12(16)10-15(2)13(17)18-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16)
InChIKeyDQDUSYGHHVWKHP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds5

About phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate

phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate (PubChem CID 60636579) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
PubChem CID60636579
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namephenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
SMILESCCCNC(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-9-14-12(16)10-15(2)13(17)18-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16)
InChIKeyDQDUSYGHHVWKHP-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
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phenyl N-butyl-N-methylcarbamate
CID 564973
phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate
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(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
phenyl N-methyl-N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]carbamate
CID 126191202
phenyl N-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]-N-methylcarbamate
CID 126004369
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
2-[[2-[N-(2,2-dimethoxyethyl)anilino]acetyl]-methylamino]-N-propylacetamide
CID 75455965
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381

Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate?
The IUPAC name of phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate (CID 60636579) is phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate.
What is the SMILES notation for phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate?
The canonical SMILES for phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate is CCCNC(=O)CN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate?
The InChIKey is DQDUSYGHHVWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-9-14-12(16)10-15(2)13(17)18-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16).
What are the key properties of phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate?
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate is sourced from PubChem (CID 60636579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).