N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide

C14H30N2O — CID 156860431

IUPACN-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide
SMILESCCC(=O)N(CC)CCN(C)CCCC(C)C
InChIInChI=1S/C14H30N2O/c1-6-14(17)16(7-2)12-11-15(5)10-8-9-13(3)4/h13H,6-12H2,1-5H3
InChIKeyWAOPSVPYODEUAE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.61
Rot. Bonds9

About N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide

N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide (PubChem CID 156860431) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide
PubChem CID156860431
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide
SMILESCCC(=O)N(CC)CCN(C)CCCC(C)C
InChIInChI=1S/C14H30N2O/c1-6-14(17)16(7-2)12-11-15(5)10-8-9-13(3)4/h13H,6-12H2,1-5H3
InChIKeyWAOPSVPYODEUAE-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
N-(3-aminobutyl)-N-ethylpropanamide
CID 134484758
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
CID 58534733
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N-ethyl-N-(2-hydroxy-3-methylbutyl)propanamide
CID 59974405
N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane
CID 145339441
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide?
The IUPAC name of N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide (CID 156860431) is N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide.
What is the SMILES notation for N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide?
The canonical SMILES for N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide is CCC(=O)N(CC)CCN(C)CCCC(C)C.
What is the InChIKey of N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide?
The InChIKey is WAOPSVPYODEUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-14(17)16(7-2)12-11-15(5)10-8-9-13(3)4/h13H,6-12H2,1-5H3.
What are the key properties of N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide?
N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[methyl(4-methylpentyl)amino]ethyl]propanamide is sourced from PubChem (CID 156860431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).