2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide

C17H23N3O2 — CID 56820036

IUPAC2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c18-16(21)12-19-7-4-8-20(10-9-19)17(22)15-11-14(15)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H2,18,21)
InChIKeyBFWDDZMVZGGZHA-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 56820036) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID56820036
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c18-16(21)12-19-7-4-8-20(10-9-19)17(22)15-11-14(15)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H2,18,21)
InChIKeyBFWDDZMVZGGZHA-UHFFFAOYSA-N
XLogP0.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fonturacetam
CID 132441
(3R,6S)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3,6-dimethyl-1,4-diazepan-2-one
CID 11210511
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
CID 23646444
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-1-ethyl-3-methyl-1,4-diazepan-2-one
CID 23647114
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-cyclopropyl-3-methyl-1,4-diazepan-2-one
CID 23647122
N,N-Dimethyl-2-(2-phenylacetamido)acetamide
CID 32995
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-1-cyclopropyl-3-methyl-1,4-diazepan-2-one
CID 23647117
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-dimethyl-1,4-diazepan-2-one
CID 23647118
(3R,6R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3,6-dimethyl-1,4-diazepan-2-one
CID 23647123
(3R,6S)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-ethyl-6-methyl-1,4-diazepan-2-one
CID 23647125
(3R,6R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-ethyl-6-methyl-1,4-diazepan-2-one
CID 23647126
N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide
CID 2110505

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide (CID 56820036) is 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is BFWDDZMVZGGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-16(21)12-19-7-4-8-20(10-9-19)17(22)15-11-14(15)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H2,18,21).
What are the key properties of 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 56820036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).