N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide

C27H30N4O3 — CID 25353531

IUPACN-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O3/c1-3-31(4-2)23-17-15-22(16-18-23)26(33)29-30-27(34)24(19-20-11-7-5-8-12-20)28-25(32)21-13-9-6-10-14-21/h5-18,24H,3-4,19H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyCQGVYAHWTKKPBI-DEOSSOPVSA-N
MW458.56 g/mol
LogP3.34
Rot. Bonds9

About N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 25353531) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID25353531
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O3/c1-3-31(4-2)23-17-15-22(16-18-23)26(33)29-30-27(34)24(19-20-11-7-5-8-12-20)28-25(32)21-13-9-6-10-14-21/h5-18,24H,3-4,19H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyCQGVYAHWTKKPBI-DEOSSOPVSA-N
XLogP3.34
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.34
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-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098
4-(diethylamino)-N'-(2,2-diphenylacetyl)benzohydrazide
CID 7551714
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7601258
N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
CID 78813995
benzyl N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55942547
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]acetamide
CID 24838768
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 25353531) is N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide is CCN(CC)c1ccc(C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is CQGVYAHWTKKPBI-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-31(4-2)23-17-15-22(16-18-23)26(33)29-30-27(34)24(19-20-11-7-5-8-12-20)28-25(32)21-13-9-6-10-14-21/h5-18,24H,3-4,19H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)/t24-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 3.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 25353531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).