N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide

C15H30N2O3 — CID 119659339

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCOC1CCOCC1
InChIInChI=1S/C15H30N2O3/c1-12(2)14(16)4-8-17(3)15(18)7-11-20-13-5-9-19-10-6-13/h12-14H,4-11,16H2,1-3H3
InChIKeyULMABZPZUVHSRS-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.40
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide

N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide (PubChem CID 119659339) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
PubChem CID119659339
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCOC1CCOCC1
InChIInChI=1S/C15H30N2O3/c1-12(2)14(16)4-8-17(3)15(18)7-11-20-13-5-9-19-10-6-13/h12-14H,4-11,16H2,1-3H3
InChIKeyULMABZPZUVHSRS-UHFFFAOYSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
CID 120520092
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 119661203
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide;hydrochloride
CID 119661202
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-(3-amino-4-methylpentyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N-methylpropanamide;hydrochloride
CID 119659798
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide (CID 119659339) is N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide is CC(C)C(N)CCN(C)C(=O)CCOC1CCOCC1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
The InChIKey is ULMABZPZUVHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)14(16)4-8-17(3)15(18)7-11-20-13-5-9-19-10-6-13/h12-14H,4-11,16H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide?
N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide has a molecular weight of 286.42 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 119659339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).