3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide

C18H29NO3 — CID 74975410

IUPAC3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide
SMILESCOC(OC)C(CC(=O)NC(C)c1ccccc1)CC(C)C
InChIInChI=1S/C18H29NO3/c1-13(2)11-16(18(21-4)22-5)12-17(20)19-14(3)15-9-7-6-8-10-15/h6-10,13-14,16,18H,11-12H2,1-5H3,(H,19,20)
InChIKeyBONGREBDOSQWMG-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.54
Rot. Bonds9

About 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide

3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide (PubChem CID 74975410) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide.

Molecular Properties

Compound Name3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide
PubChem CID74975410
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide
SMILESCOC(OC)C(CC(=O)NC(C)c1ccccc1)CC(C)C
InChIInChI=1S/C18H29NO3/c1-13(2)11-16(18(21-4)22-5)12-17(20)19-14(3)15-9-7-6-8-10-15/h6-10,13-14,16,18H,11-12H2,1-5H3,(H,19,20)
InChIKeyBONGREBDOSQWMG-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-[2-oxo-2-(1-phenylethylamino)ethyl]hexanoic acid
CID 59855513
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide?
The IUPAC name of 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide (CID 74975410) is 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide.
What is the SMILES notation for 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide?
The canonical SMILES for 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide is COC(OC)C(CC(=O)NC(C)c1ccccc1)CC(C)C.
What is the InChIKey of 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide?
The InChIKey is BONGREBDOSQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13(2)11-16(18(21-4)22-5)12-17(20)19-14(3)15-9-7-6-8-10-15/h6-10,13-14,16,18H,11-12H2,1-5H3,(H,19,20).
What are the key properties of 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide?
3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide has a molecular weight of 307.43 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-5-methyl-N-(1-phenylethyl)hexanamide is sourced from PubChem (CID 74975410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).