(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide

C10H21NO2 — CID 71749998

IUPAC(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide
SMILES[2H]C([2H])([2H])[C@H](CCCC)CC(=O)N(C)OC
InChIInChI=1S/C10H21NO2/c1-5-6-7-9(2)8-10(12)11(3)13-4/h9H,5-8H2,1-4H3/t9-/m1/s1/i2D3
InChIKeyVUKKXCDKJYYNRC-NNKNZJFPSA-N
MW190.30 g/mol
LogP2.22
Rot. Bonds7

About (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide

(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide (PubChem CID 71749998) has the molecular formula C10H21NO2 and a molecular weight of 190.30 g/mol. Its IUPAC name is (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide.

Molecular Properties

Compound Name(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide
PubChem CID71749998
Molecular FormulaC10H21NO2
Molecular Weight190.30 g/mol
Exact Mass190.18
IUPAC Name(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide
SMILES[2H]C([2H])([2H])[C@H](CCCC)CC(=O)N(C)OC
InChIInChI=1S/C10H21NO2/c1-5-6-7-9(2)8-10(12)11(3)13-4/h9H,5-8H2,1-4H3/t9-/m1/s1/i2D3
InChIKeyVUKKXCDKJYYNRC-NNKNZJFPSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N,3-dimethylbutanamide
CID 10975620
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
N-methoxy-N-methylpropanamide
CID 11344007
dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate
CID 175544522
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide
CID 134549815
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide
CID 161442718
tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
CID 90348684
(2S)-2-butoxy-N-methoxy-N-methylpropanamide
CID 172508606
(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide
CID 11463425

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide?
The IUPAC name of (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide (CID 71749998) is (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide.
What is the SMILES notation for (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide?
The canonical SMILES for (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide is [2H]C([2H])([2H])[C@H](CCCC)CC(=O)N(C)OC.
What is the InChIKey of (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide?
The InChIKey is VUKKXCDKJYYNRC-NNKNZJFPSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-7-9(2)8-10(12)11(3)13-4/h9H,5-8H2,1-4H3/t9-/m1/s1/i2D3.
What are the key properties of (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide?
(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide has a molecular weight of 190.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide is sourced from PubChem (CID 71749998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).