N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide

C22H21N3O4 — CID 7601258

IUPACN-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1occc1C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-15-18(12-13-29-15)21(27)24-25-22(28)19(14-16-8-4-2-5-9-16)23-20(26)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyYFKOAYCEPGZVLJ-IBGZPJMESA-N
MW391.43 g/mol
LogP2.39
Rot. Bonds6

About N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 7601258) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID7601258
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1occc1C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-15-18(12-13-29-15)21(27)24-25-22(28)19(14-16-8-4-2-5-9-16)23-20(26)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyYFKOAYCEPGZVLJ-IBGZPJMESA-N
XLogP2.39
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.39
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

2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
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CID 25353531
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
CID 42952795
N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
CID 78813995
N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 84968457
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
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
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 7601258) is N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1occc1C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is YFKOAYCEPGZVLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-18(12-13-29-15)21(27)24-25-22(28)19(14-16-8-4-2-5-9-16)23-20(26)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 391.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 7601258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).