ethane;N-methyl-4-[(propanoylamino)methyl]benzamide

C14H22N2O2 — CID 145404666

IUPACethane;N-methyl-4-[(propanoylamino)methyl]benzamide
SMILESCC.CCC(=O)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C12H16N2O2.C2H6/c1-3-11(15)14-8-9-4-6-10(7-5-9)12(16)13-2;1-2/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15);1-2H3
InChIKeyWJJUQCFGYUTKER-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds4

About ethane;N-methyl-4-[(propanoylamino)methyl]benzamide

ethane;N-methyl-4-[(propanoylamino)methyl]benzamide (PubChem CID 145404666) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;N-methyl-4-[(propanoylamino)methyl]benzamide.

Molecular Properties

Compound Nameethane;N-methyl-4-[(propanoylamino)methyl]benzamide
PubChem CID145404666
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethane;N-methyl-4-[(propanoylamino)methyl]benzamide
SMILESCC.CCC(=O)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C12H16N2O2.C2H6/c1-3-11(15)14-8-9-4-6-10(7-5-9)12(16)13-2;1-2/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15);1-2H3
InChIKeyWJJUQCFGYUTKER-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
3-methyl-5-[[4-(methylcarbamoyl)phenyl]methylamino]-5-oxopentanoic acid
CID 62964546
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
2-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569186
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
2-methyl-3-[[4-(methylcarbamoyl)phenyl]methylamino]-3-oxopropanoic acid
CID 114898130
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 51092014

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[(propanoylamino)methyl]benzamide?
The IUPAC name of ethane;N-methyl-4-[(propanoylamino)methyl]benzamide (CID 145404666) is ethane;N-methyl-4-[(propanoylamino)methyl]benzamide.
What is the SMILES notation for ethane;N-methyl-4-[(propanoylamino)methyl]benzamide?
The canonical SMILES for ethane;N-methyl-4-[(propanoylamino)methyl]benzamide is CC.CCC(=O)NCc1ccc(C(=O)NC)cc1.
What is the InChIKey of ethane;N-methyl-4-[(propanoylamino)methyl]benzamide?
The InChIKey is WJJUQCFGYUTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6/c1-3-11(15)14-8-9-4-6-10(7-5-9)12(16)13-2;1-2/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15);1-2H3.
What are the key properties of ethane;N-methyl-4-[(propanoylamino)methyl]benzamide?
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[(propanoylamino)methyl]benzamide is sourced from PubChem (CID 145404666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).