2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide

C16H34N2O — CID 103604994

IUPAC2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CCCCCCNC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H34N2O/c1-13(2)10-8-6-7-9-11-17-15(5)16(19)18-12-14(3)4/h13-15,17H,6-12H2,1-5H3,(H,18,19)
InChIKeyGGKKRKRPJUYQMP-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.34
Rot. Bonds11

About 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide

2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide (PubChem CID 103604994) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
PubChem CID103604994
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CCCCCCNC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H34N2O/c1-13(2)10-8-6-7-9-11-17-15(5)16(19)18-12-14(3)4/h13-15,17H,6-12H2,1-5H3,(H,18,19)
InChIKeyGGKKRKRPJUYQMP-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide
CID 113407004
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide (CID 103604994) is 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide is CC(C)CCCCCCNC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is GGKKRKRPJUYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)10-8-6-7-9-11-17-15(5)16(19)18-12-14(3)4/h13-15,17H,6-12H2,1-5H3,(H,18,19).
What are the key properties of 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide?
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 270.46 g/mol, XLogP of 3.34, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 103604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).