N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide

C14H30N2O2 — CID 115712027

IUPACN-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NCCC(=O)NCCOC
InChIInChI=1S/C14H30N2O2/c1-4-5-6-7-8-13(2)15-10-9-14(17)16-11-12-18-3/h13,15H,4-12H2,1-3H3,(H,16,17)
InChIKeyFRIKQMBQYZEQSB-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.09
Rot. Bonds12

About N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide

N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide (PubChem CID 115712027) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
PubChem CID115712027
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NCCC(=O)NCCOC
InChIInChI=1S/C14H30N2O2/c1-4-5-6-7-8-13(2)15-10-9-14(17)16-11-12-18-3/h13,15H,4-12H2,1-3H3,(H,16,17)
InChIKeyFRIKQMBQYZEQSB-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115676517
N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
CID 111212331
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
CID 59074160

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide (CID 115712027) is N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide is CCCCCCC(C)NCCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide?
The InChIKey is FRIKQMBQYZEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-5-6-7-8-13(2)15-10-9-14(17)16-11-12-18-3/h13,15H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide?
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide has a molecular weight of 258.41 g/mol, XLogP of 2.09, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide is sourced from PubChem (CID 115712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).