N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide

C23H31N3O — CID 3060235

IUPACN-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CCN1CCCN(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21/h3-8,10-13H,2,9,14-20H2,1H3
InChIKeyNUJHHOPPUQXSTI-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.64
Rot. Bonds8

About N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide

N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide (PubChem CID 3060235) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
PubChem CID3060235
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CCN1CCCN(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21/h3-8,10-13H,2,9,14-20H2,1H3
InChIKeyNUJHHOPPUQXSTI-UHFFFAOYSA-N
XLogP3.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide?
The IUPAC name of N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide (CID 3060235) is N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide.
What is the SMILES notation for N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide?
The canonical SMILES for N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide is CCC(=O)N(CCN1CCCN(CCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide?
The InChIKey is NUJHHOPPUQXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21/h3-8,10-13H,2,9,14-20H2,1H3.
What are the key properties of N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide?
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide has a molecular weight of 365.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide is sourced from PubChem (CID 3060235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).