N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide

C12H26N2O2 — CID 71936163

IUPACN-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide
SMILESCOCCCNC(=O)C(C)N(C)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)9-14(4)11(3)12(15)13-7-6-8-16-5/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyXJDKLDNOKSLVSE-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.12
Rot. Bonds8

About N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide

N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide (PubChem CID 71936163) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide
PubChem CID71936163
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide
SMILESCOCCCNC(=O)C(C)N(C)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)9-14(4)11(3)12(15)13-7-6-8-16-5/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyXJDKLDNOKSLVSE-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide (CID 71936163) is N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide is COCCCNC(=O)C(C)N(C)CC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide?
The InChIKey is XJDKLDNOKSLVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)9-14(4)11(3)12(15)13-7-6-8-16-5/h10-11H,6-9H2,1-5H3,(H,13,15).
What are the key properties of N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide?
N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 71936163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).