3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide

C27H39N3O2 — CID 18228267

IUPAC3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)c1
InChIInChI=1S/C27H39N3O2/c1-8-30(9-2)26(32)21-11-10-12-23(17-21)29-24(31)18-28-25(19(3)4)20-13-15-22(16-14-20)27(5,6)7/h10-17,19,25,28H,8-9,18H2,1-7H3,(H,29,31)
InChIKeyXOKWBKLQCRJDBD-UHFFFAOYSA-N
MW437.63 g/mol
LogP5.39
Rot. Bonds9

About 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 18228267) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID18228267
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)c1
InChIInChI=1S/C27H39N3O2/c1-8-30(9-2)26(32)21-11-10-12-23(17-21)29-24(31)18-28-25(19(3)4)20-13-15-22(16-14-20)27(5,6)7/h10-17,19,25,28H,8-9,18H2,1-7H3,(H,29,31)
InChIKeyXOKWBKLQCRJDBD-UHFFFAOYSA-N
XLogP5.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide with MolForge

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Related Compounds

N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8638827
3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 8637200
N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923917
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 18089009
N,N-diethyl-3-[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]benzamide
CID 35065040
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide (CID 18228267) is 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)c1.
What is the InChIKey of 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is XOKWBKLQCRJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-8-30(9-2)26(32)21-11-10-12-23(17-21)29-24(31)18-28-25(19(3)4)20-13-15-22(16-14-20)27(5,6)7/h10-17,19,25,28H,8-9,18H2,1-7H3,(H,29,31).
What are the key properties of 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 437.63 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 18228267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).