N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide

C14H28N2O3 — CID 103983559

IUPACN-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCC1CCCCO1
InChIInChI=1S/C14H28N2O3/c1-12(14(17)16-8-5-10-18-2)15-9-7-13-6-3-4-11-19-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyVLEDUCMEHOMCLF-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.08
Rot. Bonds9

About N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide

N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide (PubChem CID 103983559) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide
PubChem CID103983559
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCC1CCCCO1
InChIInChI=1S/C14H28N2O3/c1-12(14(17)16-8-5-10-18-2)15-9-7-13-6-3-4-11-19-13/h12-13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyVLEDUCMEHOMCLF-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-[2-(oxan-2-yl)ethyl]thiourea
CID 113360619
N-methyl-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 61038745
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208
2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
N-(2-methylbutan-2-yl)-2-[2-(oxolan-2-yl)ethylamino]propanamide
CID 54916932

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide (CID 103983559) is N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide is COCCCNC(=O)C(C)NCCC1CCCCO1.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide?
The InChIKey is VLEDUCMEHOMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(14(17)16-8-5-10-18-2)15-9-7-13-6-3-4-11-19-13/h12-13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide?
N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide has a molecular weight of 272.39 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(oxan-2-yl)ethylamino]propanamide is sourced from PubChem (CID 103983559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).