N-(4-amino-2-methylbutyl)-3-propoxypropanamide

C11H24N2O2 — CID 66089751

IUPACN-(4-amino-2-methylbutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC(C)CCN
InChIInChI=1S/C11H24N2O2/c1-3-7-15-8-5-11(14)13-9-10(2)4-6-12/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyVFBZQRVWDUMWOK-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds9

About N-(4-amino-2-methylbutyl)-3-propoxypropanamide

N-(4-amino-2-methylbutyl)-3-propoxypropanamide (PubChem CID 66089751) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-3-propoxypropanamide
PubChem CID66089751
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(4-amino-2-methylbutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC(C)CCN
InChIInChI=1S/C11H24N2O2/c1-3-7-15-8-5-11(14)13-9-10(2)4-6-12/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyVFBZQRVWDUMWOK-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
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-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-3-propoxypropanamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-3-propoxypropanamide (CID 66089751) is N-(4-amino-2-methylbutyl)-3-propoxypropanamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-3-propoxypropanamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-3-propoxypropanamide is CCCOCCC(=O)NCC(C)CCN.
What is the InChIKey of N-(4-amino-2-methylbutyl)-3-propoxypropanamide?
The InChIKey is VFBZQRVWDUMWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-7-15-8-5-11(14)13-9-10(2)4-6-12/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of N-(4-amino-2-methylbutyl)-3-propoxypropanamide?
N-(4-amino-2-methylbutyl)-3-propoxypropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-3-propoxypropanamide is sourced from PubChem (CID 66089751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).