acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide

C24H38N2O2 — CID 156747649

IUPACacetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
SMILESCC.CC.CC(N)=O.CCCc1cccc(-c2ccc(CNC(C)=O)cc2)c1
InChIInChI=1S/C18H21NO.C2H5NO.2C2H6/c1-3-5-15-6-4-7-18(12-15)17-10-8-16(9-11-17)13-19-14(2)20;1-2(3)4;2*1-2/h4,6-12H,3,5,13H2,1-2H3,(H,19,20);1H3,(H2,3,4);2*1-2H3
InChIKeyUETVNSYBFBAPRG-UHFFFAOYSA-N
MW386.58 g/mol
LogP5.49
Rot. Bonds5

About acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide

acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide (PubChem CID 156747649) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Nameacetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
PubChem CID156747649
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Nameacetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
SMILESCC.CC.CC(N)=O.CCCc1cccc(-c2ccc(CNC(C)=O)cc2)c1
InChIInChI=1S/C18H21NO.C2H5NO.2C2H6/c1-3-5-15-6-4-7-18(12-15)17-10-8-16(9-11-17)13-19-14(2)20;1-2(3)4;2*1-2/h4,6-12H,3,5,13H2,1-2H3,(H,19,20);1H3,(H2,3,4);2*1-2H3
InChIKeyUETVNSYBFBAPRG-UHFFFAOYSA-N
XLogP5.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
cesium;acetamide;3-[3-[4-[(oxomethylamino)methyl]phenyl]phenyl]propanoic acid
CID 153371038
N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
CID 68720830
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
1-phenyl-3-propylbenzene
CID 4110465
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
N-benzylacetamide;ethanamine
CID 22257034
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
CID 173090608
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934

Frequently Asked Questions

What is the IUPAC name of acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide?
The IUPAC name of acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide (CID 156747649) is acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide.
What is the SMILES notation for acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide?
The canonical SMILES for acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide is CC.CC.CC(N)=O.CCCc1cccc(-c2ccc(CNC(C)=O)cc2)c1.
What is the InChIKey of acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide?
The InChIKey is UETVNSYBFBAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C2H5NO.2C2H6/c1-3-5-15-6-4-7-18(12-15)17-10-8-16(9-11-17)13-19-14(2)20;1-2(3)4;2*1-2/h4,6-12H,3,5,13H2,1-2H3,(H,19,20);1H3,(H2,3,4);2*1-2H3.
What are the key properties of acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide?
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide has a molecular weight of 386.58 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide is sourced from PubChem (CID 156747649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).