2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide

C15H29N3O2 — CID 47040095

IUPAC2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H29N3O2/c1-3-4-9-18(10-14(16)19)11-15(20)17-13-7-5-12(2)6-8-13/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyBBYHQQADNMGUIL-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds8

About 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide

2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 47040095) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
PubChem CID47040095
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H29N3O2/c1-3-4-9-18(10-14(16)19)11-15(20)17-13-7-5-12(2)6-8-13/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyBBYHQQADNMGUIL-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide (CID 47040095) is 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is BBYHQQADNMGUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-4-9-18(10-14(16)19)11-15(20)17-13-7-5-12(2)6-8-13/h12-13H,3-11H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 47040095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).