3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide

C18H36N2O3 — CID 146429271

IUPAC3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide
SMILESCCC(C)C(C(CC=O)OC)N(C)C(=O)CC(C(C)C)N(C)C
InChIInChI=1S/C18H36N2O3/c1-9-14(4)18(16(23-8)10-11-21)20(7)17(22)12-15(13(2)3)19(5)6/h11,13-16,18H,9-10,12H2,1-8H3
InChIKeyXLYCUMZWOGHDOE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.44
Rot. Bonds11

About 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide

3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide (PubChem CID 146429271) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide
PubChem CID146429271
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide
SMILESCCC(C)C(C(CC=O)OC)N(C)C(=O)CC(C(C)C)N(C)C
InChIInChI=1S/C18H36N2O3/c1-9-14(4)18(16(23-8)10-11-21)20(7)17(22)12-15(13(2)3)19(5)6/h11,13-16,18H,9-10,12H2,1-8H3
InChIKeyXLYCUMZWOGHDOE-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4R,5R)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-2-(methylamino)acetamide
CID 142609007
2-(dimethylamino)-N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 146429060
2-(aminomethylideneamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N-methylacetamide
CID 144975363
formic acid;N-(3-methoxy-5-methylheptan-4-yl)-N,3-dimethylbutanamide
CID 144871353
N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 170042358
4-[(2-aminoacetyl)-methylamino]-3-methoxy-5-methylheptanoic acid
CID 145301841
methyl (3R,4S,5S)-4-[[(2S)-2-ethyl-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate
CID 148647459
(3R,4S,5S)-4-[acetyl(methyl)amino]-3-methoxy-5-methylheptanamide
CID 153499920
(3R,4S,5S)-4-[[(2S)-2,3-dimethylbutanoyl]-methylamino]-3-methoxy-5-methylheptanamide
CID 130377255
tert-butyl (3R,4S,5S)-4-[but-3-enoyl(methyl)amino]-3-methoxy-5-methylheptanoate
CID 155120910
2-[[[(4S)-4,5-dimethylhexan-3-yl]-methylcarbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
CID 144871501
(4S)-4-amino-3-methoxy-5-methylheptanal
CID 167113955

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide?
The IUPAC name of 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide (CID 146429271) is 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide is CCC(C)C(C(CC=O)OC)N(C)C(=O)CC(C(C)C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide?
The InChIKey is XLYCUMZWOGHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-9-14(4)18(16(23-8)10-11-21)20(7)17(22)12-15(13(2)3)19(5)6/h11,13-16,18H,9-10,12H2,1-8H3.
What are the key properties of 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide?
3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide has a molecular weight of 328.50 g/mol, XLogP of 2.44, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,4-dimethylpentanamide is sourced from PubChem (CID 146429271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).