N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

C21H26N4O3 — CID 18280098

IUPACN-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)18-13-11-17(12-14-18)21(28)24-23-19(26)15(3)22-20(27)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyQRYJDLZKYHIHSF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.11
Rot. Bonds7

About N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 18280098) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID18280098
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)18-13-11-17(12-14-18)21(28)24-23-19(26)15(3)22-20(27)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyQRYJDLZKYHIHSF-UHFFFAOYSA-N
XLogP2.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 25353531
4-(diethylamino)-N'-(2,2-diphenylacetyl)benzohydrazide
CID 7551714
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 18280098) is N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is CCN(CC)c1ccc(C(=O)NNC(=O)C(C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is QRYJDLZKYHIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-25(5-2)18-13-11-17(12-14-18)21(28)24-23-19(26)15(3)22-20(27)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 18280098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).