N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide

C26H50N2O2 — CID 126694344

IUPACN-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide
SMILESCCC(=O)N(CC)CCC(C)(C)C(C)(C)CC(CC(C)(C)C)N1CCCCCC1=O
InChIInChI=1S/C26H50N2O2/c1-10-22(29)27(11-2)18-16-25(6,7)26(8,9)20-21(19-24(3,4)5)28-17-14-12-13-15-23(28)30/h21H,10-20H2,1-9H3
InChIKeyXYZHQHQPGLXXQV-UHFFFAOYSA-N
MW422.70 g/mol
LogP6.28
Rot. Bonds10

About N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide

N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide (PubChem CID 126694344) has the molecular formula C26H50N2O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide
PubChem CID126694344
Molecular FormulaC26H50N2O2
Molecular Weight422.70 g/mol
Exact Mass422.39
IUPAC NameN-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide
SMILESCCC(=O)N(CC)CCC(C)(C)C(C)(C)CC(CC(C)(C)C)N1CCCCCC1=O
InChIInChI=1S/C26H50N2O2/c1-10-22(29)27(11-2)18-16-25(6,7)26(8,9)20-21(19-24(3,4)5)28-17-14-12-13-15-23(28)30/h21H,10-20H2,1-9H3
InChIKeyXYZHQHQPGLXXQV-UHFFFAOYSA-N
XLogP6.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide?
The IUPAC name of N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide (CID 126694344) is N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide.
What is the SMILES notation for N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide?
The canonical SMILES for N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide is CCC(=O)N(CC)CCC(C)(C)C(C)(C)CC(CC(C)(C)C)N1CCCCCC1=O.
What is the InChIKey of N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide?
The InChIKey is XYZHQHQPGLXXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O2/c1-10-22(29)27(11-2)18-16-25(6,7)26(8,9)20-21(19-24(3,4)5)28-17-14-12-13-15-23(28)30/h21H,10-20H2,1-9H3.
What are the key properties of N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide?
N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide has a molecular weight of 422.70 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3,3,4,4,8,8-hexamethyl-6-(2-oxoazepan-1-yl)nonyl]propanamide is sourced from PubChem (CID 126694344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).