3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide

C19H38N2O4 — CID 170966776

IUPAC3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide
SMILESCNCCCCC(NC(=O)C(C)(C)COCC(C)(C)COC)C(C)=O
InChIInChI=1S/C19H38N2O4/c1-15(22)16(10-8-9-11-20-6)21-17(23)19(4,5)14-25-13-18(2,3)12-24-7/h16,20H,8-14H2,1-7H3,(H,21,23)
InChIKeyKEKMWWWLOBYWRC-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.17
Rot. Bonds14

About 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide

3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide (PubChem CID 170966776) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide
PubChem CID170966776
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Name3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide
SMILESCNCCCCC(NC(=O)C(C)(C)COCC(C)(C)COC)C(C)=O
InChIInChI=1S/C19H38N2O4/c1-15(22)16(10-8-9-11-20-6)21-17(23)19(4,5)14-25-13-18(2,3)12-24-7/h16,20H,8-14H2,1-7H3,(H,21,23)
InChIKeyKEKMWWWLOBYWRC-UHFFFAOYSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011
(2S)-2-(hexanoylamino)-7-[[4-(3-methoxy-2,2-dimethylpropoxy)-3,3-dimethylbutanoyl]amino]-N-[3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl]heptanamide
CID 170966672
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
3-hydrazinyl-6-(methylamino)hexan-2-one
CID 155029224
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
(4R)-1-[2-[(3-methoxy-2,2-dimethylpropoxy)methyl]-2-methylaziridin-1-yl]-4-(methylamino)hexane-1,5-dione
CID 170966550
(3S)-7-(methylamino)-3-propylheptan-2-one
CID 159849059
methyl 7-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 23566999

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide?
The IUPAC name of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide (CID 170966776) is 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide.
What is the SMILES notation for 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide?
The canonical SMILES for 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide is CNCCCCC(NC(=O)C(C)(C)COCC(C)(C)COC)C(C)=O.
What is the InChIKey of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide?
The InChIKey is KEKMWWWLOBYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-15(22)16(10-8-9-11-20-6)21-17(23)19(4,5)14-25-13-18(2,3)12-24-7/h16,20H,8-14H2,1-7H3,(H,21,23).
What are the key properties of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide?
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide has a molecular weight of 358.52 g/mol, XLogP of 2.17, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethyl-N-[7-(methylamino)-2-oxoheptan-3-yl]propanamide is sourced from PubChem (CID 170966776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).