4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide

C26H37N3O2 — CID 174218367

IUPAC4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1CC(CNC(=O)CC(c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C26H37N3O2/c1-17(2)23(20-10-8-7-9-11-20)15-25(30)28-16-22(29(5)6)14-24-18(3)12-21(26(27)31)13-19(24)4/h7-13,17,22-23H,14-16H2,1-6H3,(H2,27,31)(H,28,30)
InChIKeyHZBKHQXIHPCCDL-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.82
Rot. Bonds10

About 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide

4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide (PubChem CID 174218367) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide
PubChem CID174218367
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1CC(CNC(=O)CC(c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C26H37N3O2/c1-17(2)23(20-10-8-7-9-11-20)15-25(30)28-16-22(29(5)6)14-24-18(3)12-21(26(27)31)13-19(24)4/h7-13,17,22-23H,14-16H2,1-6H3,(H2,27,31)(H,28,30)
InChIKeyHZBKHQXIHPCCDL-UHFFFAOYSA-N
XLogP3.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)-3-[[(3S)-3-phenylbutanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 139568807
[(1S)-1-phenylethyl] N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-(dimethylamino)propyl]carbamate
CID 139568826
4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide
CID 139569061
4-[(2S)-3-[[(3S)-3-cyclopropyl-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3R)-3-cyclopropyl-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-4-methyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 167626677
3-chloro-4-[(2S)-2-(dimethylamino)-3-[[(3R)-4-methyl-3-phenylpentanoyl]amino]propyl]benzamide
CID 165405406
3-chloro-4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]benzamide
CID 175526077
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-phenylbutanoyl]amino]propyl]benzamide
CID 139568810
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
(3R)-N-[(2S)-2-(dimethylamino)-3-(2,6-dimethyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide
CID 167578145
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-pyridin-3-ylpentanoyl]amino]propyl]-2-fluorobenzamide;(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 167556170
N-[3-(4-amino-3-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylbutanamide
CID 175526217
4-cyclopropyl-N-[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylbutanamide
CID 175526198

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide?
The IUPAC name of 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide (CID 174218367) is 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1CC(CNC(=O)CC(c1ccccc1)C(C)C)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide?
The InChIKey is HZBKHQXIHPCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-17(2)23(20-10-8-7-9-11-20)15-25(30)28-16-22(29(5)6)14-24-18(3)12-21(26(27)31)13-19(24)4/h7-13,17,22-23H,14-16H2,1-6H3,(H2,27,31)(H,28,30).
What are the key properties of 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide?
4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide has a molecular weight of 423.60 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 174218367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).