N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide

C18H37NO2 — CID 153358704

IUPACN,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
SMILESCC(C)C(=O)N(C)CCC(C)(C)OCCC(C)(C)C(C)C
InChIInChI=1S/C18H37NO2/c1-14(2)16(20)19(9)12-10-18(7,8)21-13-11-17(5,6)15(3)4/h14-15H,10-13H2,1-9H3
InChIKeyIGNQQUHAJJYJIQ-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.36
Rot. Bonds9

About N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide

N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide (PubChem CID 153358704) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
PubChem CID153358704
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
SMILESCC(C)C(=O)N(C)CCC(C)(C)OCCC(C)(C)C(C)C
InChIInChI=1S/C18H37NO2/c1-14(2)16(20)19(9)12-10-18(7,8)21-13-11-17(5,6)15(3)4/h14-15H,10-13H2,1-9H3
InChIKeyIGNQQUHAJJYJIQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(3,3,4-trimethylpentoxy)butan-1-amine
CID 153375570
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
CID 170705000
N-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethyl]-N,2-dimethylpropanamide
CID 176777052
N-butyl-N,2-dimethylpropanamide
CID 21413636
2-amino-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115152544
N,2-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
CID 170237295
CID 174138442
CID 174138442
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
2,2-dimethyl-4-[2-methyl-4-[methyl(propan-2-yl)amino]butan-2-yl]oxy-N-(2-propan-2-yloxyethyl)butanamide
CID 176678896
2,6,6,7-tetramethyloctan-3-one
CID 155625283

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide (CID 153358704) is N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide is CC(C)C(=O)N(C)CCC(C)(C)OCCC(C)(C)C(C)C.
What is the InChIKey of N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide?
The InChIKey is IGNQQUHAJJYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-14(2)16(20)19(9)12-10-18(7,8)21-13-11-17(5,6)15(3)4/h14-15H,10-13H2,1-9H3.
What are the key properties of N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide?
N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide has a molecular weight of 299.50 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide is sourced from PubChem (CID 153358704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).