2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide

C25H49NO2 — CID 88735263

IUPAC2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide
SMILESCCCCCCCCCCCCCCCCCCN(CC1CO1)C(=O)C(C)C
InChIInChI=1S/C25H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(21-24-22-28-24)25(27)23(2)3/h23-24H,4-22H2,1-3H3
InChIKeyPNVHYCKSBWKYRX-UHFFFAOYSA-N
MW395.67 g/mol
LogP7.13
Rot. Bonds20

About 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide

2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide (PubChem CID 88735263) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide
PubChem CID88735263
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide
SMILESCCCCCCCCCCCCCCCCCCN(CC1CO1)C(=O)C(C)C
InChIInChI=1S/C25H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(21-24-22-28-24)25(27)23(2)3/h23-24H,4-22H2,1-3H3
InChIKeyPNVHYCKSBWKYRX-UHFFFAOYSA-N
XLogP7.13
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
1-hexyl-1-(oxiran-2-ylmethyl)guanidine
CID 175326885
(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
CID 88736405
N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride
CID 174337105
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
2-chloro-N,N-dihexylpropanamide
CID 533081
2-amino-N,N-dihexylpropanamide
CID 54872127
(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2,2-dichloro-N,N-dihexylacetamide
CID 533320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide (CID 88735263) is 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide is CCCCCCCCCCCCCCCCCCN(CC1CO1)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide?
The InChIKey is PNVHYCKSBWKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(21-24-22-28-24)25(27)23(2)3/h23-24H,4-22H2,1-3H3.
What are the key properties of 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide?
2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide has a molecular weight of 395.67 g/mol, XLogP of 7.13, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide is sourced from PubChem (CID 88735263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).