2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide

C20H25N5O3 — CID 102220106

IUPAC2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide
SMILESCN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N5O3/c1-25(2)14-18(26)22-17(13-15-9-5-3-6-10-15)19(27)23-24-20(28)21-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,22,26)(H,23,27)(H2,21,24,28)/t17-/m0/s1
InChIKeyVCLPHFUZDVUXPV-KRWDZBQOSA-N
MW383.45 g/mol
LogP1.13
Rot. Bonds7

About 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide

2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide (PubChem CID 102220106) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide
PubChem CID102220106
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide
SMILESCN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N5O3/c1-25(2)14-18(26)22-17(13-15-9-5-3-6-10-15)19(27)23-24-20(28)21-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,22,26)(H,23,27)(H2,21,24,28)/t17-/m0/s1
InChIKeyVCLPHFUZDVUXPV-KRWDZBQOSA-N
XLogP1.13
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide (CID 102220106) is 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide is CN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)Nc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide?
The InChIKey is VCLPHFUZDVUXPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-25(2)14-18(26)22-17(13-15-9-5-3-6-10-15)19(27)23-24-20(28)21-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,22,26)(H,23,27)(H2,21,24,28)/t17-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide?
2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2S)-1-oxo-3-phenyl-1-[2-(phenylcarbamoyl)hydrazinyl]propan-2-yl]acetamide is sourced from PubChem (CID 102220106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).