N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide

C21H27NO — CID 2169877

IUPACN,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
SMILESCC[C@@H](C)N(C(=O)c1ccc(-c2ccccc2)cc1)[C@H](C)CC
InChIInChI=1S/C21H27NO/c1-5-16(3)22(17(4)6-2)21(23)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-17H,5-6H2,1-4H3/t16-,17-/m1/s1
InChIKeyCQISCKNZIWUPIB-IAGOWNOFSA-N
MW309.45 g/mol
LogP5.39
Rot. Bonds6

About N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide

N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide (PubChem CID 2169877) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
PubChem CID2169877
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
SMILESCC[C@@H](C)N(C(=O)c1ccc(-c2ccccc2)cc1)[C@H](C)CC
InChIInChI=1S/C21H27NO/c1-5-16(3)22(17(4)6-2)21(23)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-17H,5-6H2,1-4H3/t16-,17-/m1/s1
InChIKeyCQISCKNZIWUPIB-IAGOWNOFSA-N
XLogP5.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
2-ethyl-2-[ethyl-(4-phenylbenzoyl)amino]propanedioic acid
CID 118292572
N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
ethane;4-phenylbenzoic acid;propane
CID 156791718
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
2-(4-phenylbenzoyl)butanenitrile
CID 116923686
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide?
The IUPAC name of N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide (CID 2169877) is N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide is CC[C@@H](C)N(C(=O)c1ccc(-c2ccccc2)cc1)[C@H](C)CC.
What is the InChIKey of N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide?
The InChIKey is CQISCKNZIWUPIB-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-16(3)22(17(4)6-2)21(23)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-17H,5-6H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide?
N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide has a molecular weight of 309.45 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 2169877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).