N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide

C12H26N2O3 — CID 43254229

IUPACN-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCC(C)OCCOCCC(=O)N(C)CCCN
InChIInChI=1S/C12H26N2O3/c1-11(2)17-10-9-16-8-5-12(15)14(3)7-4-6-13/h11H,4-10,13H2,1-3H3
InChIKeyZZIXDPRMKHJGPE-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.63
Rot. Bonds10

About N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide

N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide (PubChem CID 43254229) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
PubChem CID43254229
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCC(C)OCCOCCC(=O)N(C)CCCN
InChIInChI=1S/C12H26N2O3/c1-11(2)17-10-9-16-8-5-12(15)14(3)7-4-6-13/h11H,4-10,13H2,1-3H3
InChIKeyZZIXDPRMKHJGPE-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
7-amino-N-methyl-N-(2-propan-2-yloxyethyl)heptanamide
CID 81056335
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
N-methyl-6-propan-2-yloxy-N-(2-propan-2-yloxyethyl)hexanamide
CID 167520219
N-(2-methoxyethyl)-N-methyl-4-propan-2-yloxybutanamide
CID 167520317
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide (CID 43254229) is N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide is CC(C)OCCOCCC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide?
The InChIKey is ZZIXDPRMKHJGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2)17-10-9-16-8-5-12(15)14(3)7-4-6-13/h11H,4-10,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide?
N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide is sourced from PubChem (CID 43254229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).