(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide

C14H20N2O3 — CID 100694823

IUPAC(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
SMILESCCN(CC(N)=O)C(=O)[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-16(9-13(15)17)14(18)10(2)11-5-7-12(19-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H2,15,17)/t10-/m0/s1
InChIKeySXCXYEPEBPIAHP-JTQLQIEISA-N
MW264.32 g/mol
LogP1.13
Rot. Bonds6

About (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide

(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide (PubChem CID 100694823) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
PubChem CID100694823
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
SMILESCCN(CC(N)=O)C(=O)[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-16(9-13(15)17)14(18)10(2)11-5-7-12(19-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H2,15,17)/t10-/m0/s1
InChIKeySXCXYEPEBPIAHP-JTQLQIEISA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 119039574
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)propanamide
CID 111596140
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
CID 119189812
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
1,1-diethyl-2-[3-(4-methoxyphenyl)butyl]guanidine
CID 111818422

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide (CID 100694823) is (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide is CCN(CC(N)=O)C(=O)[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide?
The InChIKey is SXCXYEPEBPIAHP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(9-13(15)17)14(18)10(2)11-5-7-12(19-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide?
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100694823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).