methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate

C20H25N3O3 — CID 70075865

IUPACmethyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)NNCc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-14(2)18(22-20(25)26-3)19(24)23-21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,21H,13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyJYOCJSIZYRVREH-SFHVURJKSA-N
MW355.44 g/mol
LogP2.86
Rot. Bonds7

About methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate (PubChem CID 70075865) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
PubChem CID70075865
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)NNCc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-14(2)18(22-20(25)26-3)19(24)23-21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,21H,13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKeyJYOCJSIZYRVREH-SFHVURJKSA-N
XLogP2.86
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.86
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

methyl N-[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamate
CID 90904917
methyl N-[(2S,3S)-1-[2-[(4-bromophenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 91077200
(2S)-2-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 90429841
[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 68685259
3-methyl-2-[(4-phenylphenyl)methylamino]butanoic acid
CID 43468629
(2S)-2-[[(2S)-2-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 90419450
(2R)-N'-benzyl-2-phenoxypropanehydrazide
CID 93092168
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
methyl N-[(2S)-1-[[(3S)-3-hydroxy-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59954567
benzyl N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 70701209
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 7019129

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate (CID 70075865) is methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)NNCc1ccc(-c2ccccc2)cc1)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate?
The InChIKey is JYOCJSIZYRVREH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)18(22-20(25)26-3)19(24)23-21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,21H,13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-oxo-1-[2-[(4-phenylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate is sourced from PubChem (CID 70075865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).