N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate

C18H30N2O4 — CID 91577350

IUPACN,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
SMILESCC.CC(=O)N(C)C.COC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H15NO3.C4H9NO.C2H6/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;1-4(6)5(2)3;1-2/h3-7,11H,8H2,1-2H3,(H,13,14);1-3H3;1-2H3
InChIKeyBPXITLZSJLCDPW-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.03
Rot. Bonds4

About N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate

N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate (PubChem CID 91577350) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound NameN,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
PubChem CID91577350
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
SMILESCC.CC(=O)N(C)C.COC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H15NO3.C4H9NO.C2H6/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;1-4(6)5(2)3;1-2/h3-7,11H,8H2,1-2H3,(H,13,14);1-3H3;1-2H3
InChIKeyBPXITLZSJLCDPW-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-acetamido-3-phenylpropanoic acid);tetrakis(N,N-dimethylacetamide);ethane;methanamine;hexakis(methyl 2-acetamido-3-phenylpropanoate);bis(N-methylmethanamine)
CID 159994995
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
methyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 11140872
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
methyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-acetyloxyphenyl)propanoate
CID 102368941
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate?
The IUPAC name of N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate (CID 91577350) is N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate?
The canonical SMILES for N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate is CC.CC(=O)N(C)C.COC(=O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate?
The InChIKey is BPXITLZSJLCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.C4H9NO.C2H6/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;1-4(6)5(2)3;1-2/h3-7,11H,8H2,1-2H3,(H,13,14);1-3H3;1-2H3.
What are the key properties of N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate?
N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate has a molecular weight of 338.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 91577350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).