N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide

C10H20N2O4 — CID 7034238

IUPACN-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide
SMILESCCOC(NC(C)=O)[C@@H](NC(C)=O)OCC
InChIInChI=1S/C10H20N2O4/c1-5-15-9(11-7(3)13)10(16-6-2)12-8(4)14/h9-10H,5-6H2,1-4H3,(H,11,13)(H,12,14)/t9-,10?/m0/s1
InChIKeyLFSMXZXYRIGJID-RGURZIINSA-N
MW232.28 g/mol
LogP-0.02
Rot. Bonds7

About N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide

N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide (PubChem CID 7034238) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide
PubChem CID7034238
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC NameN-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide
SMILESCCOC(NC(C)=O)[C@@H](NC(C)=O)OCC
InChIInChI=1S/C10H20N2O4/c1-5-15-9(11-7(3)13)10(16-6-2)12-8(4)14/h9-10H,5-6H2,1-4H3,(H,11,13)(H,12,14)/t9-,10?/m0/s1
InChIKeyLFSMXZXYRIGJID-RGURZIINSA-N
XLogP-0.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamido-1,2-diethoxyethyl)acetamide
CID 3881285
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-acetamido-2-chloroacetate
CID 44557246
ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
2-ethoxy-5-methylhex-5-en-3-one
CID 79178457
CID 21266963
CID 21266963
ethoxycarbonyl 2-acetamidopropanoate
CID 54522375
2-O-ethyl 1-O,1-O-dimethyl 2-acetamidoethane-1,1,2-tricarboxylate
CID 134999943
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
ethyl (2R)-2-acetamido-2-(dimethylamino)acetate
CID 92980719
N-[(1S,2S)-1-ethoxy-3-hydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]acetamide
CID 18651238

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide (CID 7034238) is N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide is CCOC(NC(C)=O)[C@@H](NC(C)=O)OCC.
What is the InChIKey of N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide?
The InChIKey is LFSMXZXYRIGJID-RGURZIINSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-15-9(11-7(3)13)10(16-6-2)12-8(4)14/h9-10H,5-6H2,1-4H3,(H,11,13)(H,12,14)/t9-,10?/m0/s1.
What are the key properties of N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide?
N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide is sourced from PubChem (CID 7034238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).