propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate

C14H19NO3 — CID 91747711

IUPACpropyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCCCOC(=O)N(C)C(C)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-10-18-14(17)15(3)11(2)13(16)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeySEOAOVMCHFNUKB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.74
Rot. Bonds5

About propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate

propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate (PubChem CID 91747711) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
PubChem CID91747711
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namepropyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
SMILESCCCOC(=O)N(C)C(C)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-10-18-14(17)15(3)11(2)13(16)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeySEOAOVMCHFNUKB-UHFFFAOYSA-N
XLogP2.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
1-phenyl-2-propoxypropan-1-one
CID 43801137
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
[(N-carboxyanilino)-(N-propoxycarbonylanilino)methyl]-phenylcarbamic acid
CID 139823200
nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669

Frequently Asked Questions

What is the IUPAC name of propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The IUPAC name of propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate (CID 91747711) is propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The canonical SMILES for propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate is CCCOC(=O)N(C)C(C)C(=O)c1ccccc1.
What is the InChIKey of propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
The InChIKey is SEOAOVMCHFNUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10-18-14(17)15(3)11(2)13(16)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate?
propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 91747711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).