4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide

C25H35N3O2 — CID 8834378

IUPAC4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C25H35N3O2/c1-7-18(4)19-8-10-20(11-9-19)24(17(2)3)26-16-23(29)27-22-14-12-21(13-15-22)25(30)28(5)6/h8-15,17-18,24,26H,7,16H2,1-6H3,(H,27,29)/t18-,24+/m1/s1
InChIKeyYUECHGCEQJTWAD-KOSHJBKYSA-N
MW409.57 g/mol
LogP4.83
Rot. Bonds9

About 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 8834378) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID8834378
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C25H35N3O2/c1-7-18(4)19-8-10-20(11-9-19)24(17(2)3)26-16-23(29)27-22-14-12-21(13-15-22)25(30)28(5)6/h8-15,17-18,24,26H,7,16H2,1-6H3,(H,27,29)/t18-,24+/m1/s1
InChIKeyYUECHGCEQJTWAD-KOSHJBKYSA-N
XLogP4.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8992485
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8834658
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 8834390
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8834502
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide (CID 8834378) is 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide is CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)cc1.
What is the InChIKey of 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is YUECHGCEQJTWAD-KOSHJBKYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-7-18(4)19-8-10-20(11-9-19)24(17(2)3)26-16-23(29)27-22-14-12-21(13-15-22)25(30)28(5)6/h8-15,17-18,24,26H,7,16H2,1-6H3,(H,27,29)/t18-,24+/m1/s1.
What are the key properties of 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 409.57 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 8834378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).