N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide

C26H28N2O2 — CID 46432021

IUPACN-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)C(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C26H28N2O2/c1-18-14-15-23(16-19(18)2)26(30)27-17-24(29)28-20(3)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,20,25H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyDMQNWSNTAOADQI-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 46432021) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID46432021
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)C(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C26H28N2O2/c1-18-14-15-23(16-19(18)2)26(30)27-17-24(29)28-20(3)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,20,25H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyDMQNWSNTAOADQI-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9164747
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164
N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24543962
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 46432021) is N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NC(C)C(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is DMQNWSNTAOADQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18-14-15-23(16-19(18)2)26(30)27-17-24(29)28-20(3)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,20,25H,17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 46432021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).