ethane;3-(methylamino)-1-phenylpropan-1-one

C16H31NO — CID 91239900

IUPACethane;3-(methylamino)-1-phenylpropan-1-one
SMILESCC.CC.CC.CNCCC(=O)c1ccccc1
InChIInChI=1S/C10H13NO.3C2H6/c1-11-8-7-10(12)9-5-3-2-4-6-9;3*1-2/h2-6,11H,7-8H2,1H3;3*1-2H3
InChIKeyYPTNPDHYARKINH-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.56
Rot. Bonds4

About ethane;3-(methylamino)-1-phenylpropan-1-one

ethane;3-(methylamino)-1-phenylpropan-1-one (PubChem CID 91239900) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;3-(methylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Nameethane;3-(methylamino)-1-phenylpropan-1-one
PubChem CID91239900
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;3-(methylamino)-1-phenylpropan-1-one
SMILESCC.CC.CC.CNCCC(=O)c1ccccc1
InChIInChI=1S/C10H13NO.3C2H6/c1-11-8-7-10(12)9-5-3-2-4-6-9;3*1-2/h2-6,11H,7-8H2,1H3;3*1-2H3
InChIKeyYPTNPDHYARKINH-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-(methylamino)-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(3-oxo-3-phenylpropyl)urea
CID 91603389
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-phenylbutan-1-one
CID 10315
ethane;1-phenylpentan-1-one
CID 143728184
3-(2-chloroethylamino)-1-phenylpropan-1-one
CID 2047021
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-phenylbutan-1-one;hydrobromide
CID 139638507
1,15-diphenylpentadecane-1,15-dione
CID 159981687
methanethiol;1-phenylbutan-1-one
CID 143799522

Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)-1-phenylpropan-1-one?
The IUPAC name of ethane;3-(methylamino)-1-phenylpropan-1-one (CID 91239900) is ethane;3-(methylamino)-1-phenylpropan-1-one.
What is the SMILES notation for ethane;3-(methylamino)-1-phenylpropan-1-one?
The canonical SMILES for ethane;3-(methylamino)-1-phenylpropan-1-one is CC.CC.CC.CNCCC(=O)c1ccccc1.
What is the InChIKey of ethane;3-(methylamino)-1-phenylpropan-1-one?
The InChIKey is YPTNPDHYARKINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.3C2H6/c1-11-8-7-10(12)9-5-3-2-4-6-9;3*1-2/h2-6,11H,7-8H2,1H3;3*1-2H3.
What are the key properties of ethane;3-(methylamino)-1-phenylpropan-1-one?
ethane;3-(methylamino)-1-phenylpropan-1-one has a molecular weight of 253.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 91239900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).