N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide

C24H26NOP — CID 154702963

IUPACN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-19(2)23(25-24(26)20-12-6-3-7-13-20)18-27(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyNNVJIBNWGCOJJT-HSZRJFAPSA-N
MW375.45 g/mol
LogP4.57
Rot. Bonds7

About N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide

N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide (PubChem CID 154702963) has the molecular formula C24H26NOP and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide
PubChem CID154702963
Molecular FormulaC24H26NOP
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-19(2)23(25-24(26)20-12-6-3-7-13-20)18-27(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyNNVJIBNWGCOJJT-HSZRJFAPSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]butanediamide
CID 11814191
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
CID 11725380
(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 101430602
N-[(2S,3S)-1-diphenylphosphanyl-3-methylpentan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 46862584
tert-butyl N-[1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 164672848
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
methyl 3-benzamidobutanoate
CID 10857046
CID 68891597
CID 68891597

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide (CID 154702963) is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide?
The InChIKey is NNVJIBNWGCOJJT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26NOP/c1-19(2)23(25-24(26)20-12-6-3-7-13-20)18-27(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26)/t23-/m1/s1.
What are the key properties of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide?
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 154702963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).