N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide

C12H26N2O3 — CID 63287771

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CCCN)CCOC
InChIInChI=1S/C12H26N2O3/c1-3-9-17-10-5-12(15)14(7-4-6-13)8-11-16-2/h3-11,13H2,1-2H3
InChIKeyDLJCZOBFVJZXAR-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.63
Rot. Bonds11

About N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide (PubChem CID 63287771) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide
PubChem CID63287771
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)N(CCCN)CCOC
InChIInChI=1S/C12H26N2O3/c1-3-9-17-10-5-12(15)14(7-4-6-13)8-11-16-2/h3-11,13H2,1-2H3
InChIKeyDLJCZOBFVJZXAR-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
ethyl 4-[3-aminopropyl-[3-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propyl]amino]-4-oxobutanoate
CID 58019737
N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
CID 62688230
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
4-amino-N,N-dipropylbutanamide
CID 12835718
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-(3-aminopropyl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 63287501
2-ethoxy-N,N-bis(2-methoxyethyl)acetamide
CID 60636441

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide (CID 63287771) is N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide is CCCOCCC(=O)N(CCCN)CCOC.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide?
The InChIKey is DLJCZOBFVJZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-3-9-17-10-5-12(15)14(7-4-6-13)8-11-16-2/h3-11,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide has a molecular weight of 246.35 g/mol, XLogP of 0.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-3-propoxypropanamide is sourced from PubChem (CID 63287771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).