methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate

C15H22N2O4 — CID 8695096

IUPACmethyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)OC)cc1
InChIInChI=1S/C15H22N2O4/c1-5-21-13-8-6-12(7-9-13)10-17(3)11(2)14(18)16-15(19)20-4/h6-9,11H,5,10H2,1-4H3,(H,16,18,19)/t11-/m1/s1
InChIKeyLUXYGZNJZXNOOP-LLVKDONJSA-N
MW294.35 g/mol
LogP1.79
Rot. Bonds6

About methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate

methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate (PubChem CID 8695096) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
PubChem CID8695096
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)OC)cc1
InChIInChI=1S/C15H22N2O4/c1-5-21-13-8-6-12(7-9-13)10-17(3)11(2)14(18)16-15(19)20-4/h6-9,11H,5,10H2,1-4H3,(H,16,18,19)/t11-/m1/s1
InChIKeyLUXYGZNJZXNOOP-LLVKDONJSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2S)-N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494913
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9037230

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate (CID 8695096) is methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate is CCOc1ccc(CN(C)[C@H](C)C(=O)NC(=O)OC)cc1.
What is the InChIKey of methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
The InChIKey is LUXYGZNJZXNOOP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-21-13-8-6-12(7-9-13)10-17(3)11(2)14(18)16-15(19)20-4/h6-9,11H,5,10H2,1-4H3,(H,16,18,19)/t11-/m1/s1.
What are the key properties of methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate?
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate is sourced from PubChem (CID 8695096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).