N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

C23H31N3O2 — CID 18167164

IUPACN-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCN(CC)C(CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-5-26(6-2)21(19-10-8-7-9-11-19)15-24-22(27)16-25-23(28)20-13-12-17(3)18(4)14-20/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPUPRTMBBLWBSQC-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.23
Rot. Bonds9

About N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 18167164) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID18167164
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCN(CC)C(CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-5-26(6-2)21(19-10-8-7-9-11-19)15-24-22(27)16-25-23(28)20-13-12-17(3)18(4)14-20/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPUPRTMBBLWBSQC-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78822026
2-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]-4-methylpentanoic acid
CID 120528480
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 18167164) is N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is CCN(CC)C(CNC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is PUPRTMBBLWBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-26(6-2)21(19-10-8-7-9-11-19)15-24-22(27)16-25-23(28)20-13-12-17(3)18(4)14-20/h7-14,21H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 18167164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).