N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide

C26H28N2O2 — CID 26796426

IUPACN-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C26H28N2O2/c1-19-13-14-23(17-20(19)2)26(30)28-18-25(29)27-16-15-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,24H,15-16,18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeySBSQVNQEJQEFGH-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.37
Rot. Bonds8

About N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 26796426) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID26796426
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C26H28N2O2/c1-19-13-14-23(17-20(19)2)26(30)28-18-25(29)27-16-15-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,24H,15-16,18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeySBSQVNQEJQEFGH-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 26796426) is N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is SBSQVNQEJQEFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19-13-14-23(17-20(19)2)26(30)28-18-25(29)27-16-15-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,24H,15-16,18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 26796426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).