N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide

C25H23N3O3 — CID 167490781

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide
SMILESC#CC(=O)NNC(=O)CCc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H23N3O3/c1-3-23(29)27-28-24(30)16-15-19-10-5-7-13-22(19)25(31)26-17(2)20-14-8-11-18-9-4-6-12-21(18)20/h1,4-14,17H,15-16H2,2H3,(H,26,31)(H,27,29)(H,28,30)/t17-/m1/s1
InChIKeyKUFIPTNMBHCXFA-QGZVFWFLSA-N
MW413.48 g/mol
LogP3.04
Rot. Bonds6

About N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide

N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide (PubChem CID 167490781) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide
PubChem CID167490781
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide
SMILESC#CC(=O)NNC(=O)CCc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H23N3O3/c1-3-23(29)27-28-24(30)16-15-19-10-5-7-13-22(19)25(31)26-17(2)20-14-8-11-18-9-4-6-12-21(18)20/h1,4-14,17H,15-16H2,2H3,(H,26,31)(H,27,29)(H,28,30)/t17-/m1/s1
InChIKeyKUFIPTNMBHCXFA-QGZVFWFLSA-N
XLogP3.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
2'-(4-Methylbenzoyl)-2-naphthohydrazide
CID 96762
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
Substituted Benzamide Derivative, 2
CID 44236114
PLpro inhibitor 7 [PMID: 36977673]
CID 164946795
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
N-[[4-(propylaminocarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 162517620
2'-(3-Methylbenzoyl)-2-naphthohydrazide
CID 96763
N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide
CID 44426498
N-(1-(4-phenylbutyl)piperidin-4-yl)-1-naphthamide
CID 44426502

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide (CID 167490781) is N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide is C#CC(=O)NNC(=O)CCc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide?
The InChIKey is KUFIPTNMBHCXFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-23(29)27-28-24(30)16-15-19-10-5-7-13-22(19)25(31)26-17(2)20-14-8-11-18-9-4-6-12-21(18)20/h1,4-14,17H,15-16H2,2H3,(H,26,31)(H,27,29)(H,28,30)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide?
N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-ynoylhydrazinyl)propyl]benzamide is sourced from PubChem (CID 167490781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).