N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide

C17H25N3O2 — CID 42904870

IUPACN-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-14(21)18-16(15-7-4-3-5-8-15)13-17(22)20-10-6-9-19(2)11-12-20/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,18,21)
InChIKeyYBMDPYDCGZTEBT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds4

About N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide

N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide (PubChem CID 42904870) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
PubChem CID42904870
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-14(21)18-16(15-7-4-3-5-8-15)13-17(22)20-10-6-9-19(2)11-12-20/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,18,21)
InChIKeyYBMDPYDCGZTEBT-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251493
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
CID 8924431
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
N-[(1R)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxo-1-phenylpropyl]acetamide
CID 11938692
N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 36940029
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 78850066

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide (CID 42904870) is N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCCN(C)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is YBMDPYDCGZTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)18-16(15-7-4-3-5-8-15)13-17(22)20-10-6-9-19(2)11-12-20/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide?
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 42904870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).