N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide

C19H29N3O2 — CID 87021791

IUPACN-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
SMILESCCC(=O)N1CCCN(CC(=O)N(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-4-18(23)21-12-8-11-20(13-14-21)15-19(24)22(16(2)3)17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15H2,1-3H3
InChIKeyMUBXENVLVGHOPC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.37
Rot. Bonds5

About N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide

N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide (PubChem CID 87021791) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
PubChem CID87021791
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
SMILESCCC(=O)N1CCCN(CC(=O)N(c2ccccc2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-4-18(23)21-12-8-11-20(13-14-21)15-19(24)22(16(2)3)17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15H2,1-3H3
InChIKeyMUBXENVLVGHOPC-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
CID 87037742
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 34010666
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
N-[1-(2-ethoxyphenyl)propyl]-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
CID 87021923
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
CID 87021844
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 136515167
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8758111

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide (CID 87021791) is N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide is CCC(=O)N1CCCN(CC(=O)N(c2ccccc2)C(C)C)CC1.
What is the InChIKey of N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide?
The InChIKey is MUBXENVLVGHOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-18(23)21-12-8-11-20(13-14-21)15-19(24)22(16(2)3)17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15H2,1-3H3.
What are the key properties of N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide?
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 87021791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).