4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide

C16H29N3O3 — CID 167795877

IUPAC4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide
SMILESCC(=O)N(C)CCCC(=O)NC1CCCC(N(C)C(C)=O)C1
InChIInChI=1S/C16H29N3O3/c1-12(20)18(3)10-6-9-16(22)17-14-7-5-8-15(11-14)19(4)13(2)21/h14-15H,5-11H2,1-4H3,(H,17,22)
InChIKeyADWPIWJHGBUIQK-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.15
Rot. Bonds6

About 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide

4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide (PubChem CID 167795877) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide
PubChem CID167795877
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide
SMILESCC(=O)N(C)CCCC(=O)NC1CCCC(N(C)C(C)=O)C1
InChIInChI=1S/C16H29N3O3/c1-12(20)18(3)10-6-9-16(22)17-14-7-5-8-15(11-14)19(4)13(2)21/h14-15H,5-11H2,1-4H3,(H,17,22)
InChIKeyADWPIWJHGBUIQK-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide?
The IUPAC name of 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide (CID 167795877) is 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide.
What is the SMILES notation for 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide?
The canonical SMILES for 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide is CC(=O)N(C)CCCC(=O)NC1CCCC(N(C)C(C)=O)C1.
What is the InChIKey of 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide?
The InChIKey is ADWPIWJHGBUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(20)18(3)10-6-9-16(22)17-14-7-5-8-15(11-14)19(4)13(2)21/h14-15H,5-11H2,1-4H3,(H,17,22).
What are the key properties of 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide?
4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-N-[3-[acetyl(methyl)amino]cyclohexyl]butanamide is sourced from PubChem (CID 167795877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).