N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide

C27H32N4O3 — CID 18704633

IUPACN-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
SMILESCNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NN(C)C(C)=O
InChIInChI=1S/C27H32N4O3/c1-19(32)31(4)29-26(33)25(18-20-10-6-5-7-11-20)30(3)27(34)24(28-2)17-21-14-15-22-12-8-9-13-23(22)16-21/h5-16,24-25,28H,17-18H2,1-4H3,(H,29,33)
InChIKeyAGCIOSZQZUDSOD-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.55
Rot. Bonds8

About N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide

N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide (PubChem CID 18704633) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
PubChem CID18704633
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
SMILESCNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NN(C)C(C)=O
InChIInChI=1S/C27H32N4O3/c1-19(32)31(4)29-26(33)25(18-20-10-6-5-7-11-20)30(3)27(34)24(28-2)17-21-14-15-22-12-8-9-13-23(22)16-21/h5-16,24-25,28H,17-18H2,1-4H3,(H,29,33)
InChIKeyAGCIOSZQZUDSOD-UHFFFAOYSA-N
XLogP2.55
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
(2R)-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 54363069
(2S)-6-acetamido-N,N-dimethyl-2-[[2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CID 70292290
(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 54043462
2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 22327096
[1-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-2-phenylethyl] N-methylcarbamate
CID 174391365
[1-[[1-[acetamido(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
CID 18704643
tert-butyl N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 70068091
(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20587656
[1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
CID 18704630
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanamide
CID 25034055
(2R)-N-[(2R)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 11113984

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide (CID 18704633) is N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide is CNC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)NN(C)C(C)=O.
What is the InChIKey of N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
The InChIKey is AGCIOSZQZUDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-19(32)31(4)29-26(33)25(18-20-10-6-5-7-11-20)30(3)27(34)24(28-2)17-21-14-15-22-12-8-9-13-23(22)16-21/h5-16,24-25,28H,17-18H2,1-4H3,(H,29,33).
What are the key properties of N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide has a molecular weight of 460.58 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetyl-2-methylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 18704633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).