N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide

C17H23N3O3 — CID 9218984

IUPACN'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H23N3O3/c21-15(11-10-14-7-3-1-4-8-14)18-19-16(22)13-20-12-6-2-5-9-17(20)23/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,21)(H,19,22)
InChIKeyBWTMODLAAXKZQD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.17
Rot. Bonds5

About N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide

N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide (PubChem CID 9218984) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
PubChem CID9218984
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H23N3O3/c21-15(11-10-14-7-3-1-4-8-14)18-19-16(22)13-20-12-6-2-5-9-17(20)23/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,21)(H,19,22)
InChIKeyBWTMODLAAXKZQD-UHFFFAOYSA-N
XLogP1.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8677167
3-(benzenesulfonyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide
CID 9218962
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 9218953
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 24554708
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046
(E)-3-(1-benzyltriazol-4-yl)-N'-[2-(2-oxoazepan-1-yl)acetyl]prop-2-enehydrazide
CID 9093077

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide (CID 9218984) is N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide is O=C(CCc1ccccc1)NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide?
The InChIKey is BWTMODLAAXKZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(11-10-14-7-3-1-4-8-14)18-19-16(22)13-20-12-6-2-5-9-17(20)23/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide?
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide has a molecular weight of 317.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide is sourced from PubChem (CID 9218984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).