N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide

C20H31N3O2 — CID 54817284

IUPACN-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)22-19(25)15-10-12-16(13-11-15)21-18(24)14-23(4)17-8-6-5-7-9-17/h10-13,17H,5-9,14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyKQMQPDKWPGTYNP-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.42
Rot. Bonds5

About N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide

N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide (PubChem CID 54817284) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
PubChem CID54817284
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)22-19(25)15-10-12-16(13-11-15)21-18(24)14-23(4)17-8-6-5-7-9-17/h10-13,17H,5-9,14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyKQMQPDKWPGTYNP-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54817498
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 54817758
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[acetyl(cyclopentyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159358
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
CID 94818819
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide (CID 54817284) is N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)C1CCCCC1.
What is the InChIKey of N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide?
The InChIKey is KQMQPDKWPGTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)22-19(25)15-10-12-16(13-11-15)21-18(24)14-23(4)17-8-6-5-7-9-17/h10-13,17H,5-9,14H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide?
N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide has a molecular weight of 345.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 54817284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).