N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide

C15H29NO3 — CID 177062288

IUPACN-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
SMILESCOCCNC(=O)C(C)(C)CC(C)(C)C(=O)C(C)C
InChIInChI=1S/C15H29NO3/c1-11(2)12(17)14(3,4)10-15(5,6)13(18)16-8-9-19-7/h11H,8-10H2,1-7H3,(H,16,18)
InChIKeyFLRSZLSIMAIJRI-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.42
Rot. Bonds8

About N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide

N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide (PubChem CID 177062288) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
PubChem CID177062288
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
SMILESCOCCNC(=O)C(C)(C)CC(C)(C)C(=O)C(C)C
InChIInChI=1S/C15H29NO3/c1-11(2)12(17)14(3,4)10-15(5,6)13(18)16-8-9-19-7/h11H,8-10H2,1-7H3,(H,16,18)
InChIKeyFLRSZLSIMAIJRI-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
CID 166075570
2,2,2-trichloro-N-(2-methoxyethyl)acetamide
CID 4248140
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2,2,4,4-tetramethyl-5-oxo-5-[(2,4,4,6-tetramethyl-5-oxoheptan-2-yl)amino]pentanoic acid
CID 165399193
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
N-[(2R,4S)-5-methoxy-2,4-dimethylpentyl]-2,2,4,4-tetramethylpentanamide
CID 139539969
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
CID 177144711
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide?
The IUPAC name of N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide (CID 177062288) is N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide?
The canonical SMILES for N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide is COCCNC(=O)C(C)(C)CC(C)(C)C(=O)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide?
The InChIKey is FLRSZLSIMAIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)12(17)14(3,4)10-15(5,6)13(18)16-8-9-19-7/h11H,8-10H2,1-7H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide?
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide has a molecular weight of 271.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide is sourced from PubChem (CID 177062288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).