2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one

C23H30N2O — CID 71462298

IUPAC2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3
InChIKeyMRMHKPMMJUGFOQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.96
Rot. Bonds5

About 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one

2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 71462298) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one
PubChem CID71462298
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3
InChIKeyMRMHKPMMJUGFOQ-UHFFFAOYSA-N
XLogP3.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Isopropamide
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Buzepide methiodide
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N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one (CID 71462298) is 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one is CC(C)N1CCCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is MRMHKPMMJUGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3.
What are the key properties of 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one?
2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 350.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 71462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).