N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide

C13H26N2O3 — CID 43254238

IUPACN-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCC1CCCCO1
InChIInChI=1S/C13H26N2O3/c1-15(8-4-7-14)13(16)6-10-17-11-12-5-2-3-9-18-12/h12H,2-11,14H2,1H3
InChIKeyGVJDEHDADHIWHC-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds8

About N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide

N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide (PubChem CID 43254238) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
PubChem CID43254238
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide
SMILESCN(CCCN)C(=O)CCOCC1CCCCO1
InChIInChI=1S/C13H26N2O3/c1-15(8-4-7-14)13(16)6-10-17-11-12-5-2-3-9-18-12/h12H,2-11,14H2,1H3
InChIKeyGVJDEHDADHIWHC-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
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-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358
2-[2-methoxyethyl-[3-(oxolan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119189387
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N-cyclopropyl-N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 78876101
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-(2-aminoethyl)-3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propanamide
CID 120886456

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide (CID 43254238) is N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide is CN(CCCN)C(=O)CCOCC1CCCCO1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide?
The InChIKey is GVJDEHDADHIWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-15(8-4-7-14)13(16)6-10-17-11-12-5-2-3-9-18-12/h12H,2-11,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide?
N-(3-aminopropyl)-N-methyl-3-(oxan-2-ylmethoxy)propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.77, 8 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-(oxan-2-ylmethoxy)propanamide is sourced from PubChem (CID 43254238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).