N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide

C12H23NO3 — CID 118260688

IUPACN-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
SMILESCC(=O)COCC(=O)N(C)CCCC(C)C
InChIInChI=1S/C12H23NO3/c1-10(2)6-5-7-13(4)12(15)9-16-8-11(3)14/h10H,5-9H2,1-4H3
InChIKeyMONPRMHZWNBJAD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds8

About N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide

N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide (PubChem CID 118260688) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
PubChem CID118260688
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
SMILESCC(=O)COCC(=O)N(C)CCCC(C)C
InChIInChI=1S/C12H23NO3/c1-10(2)6-5-7-13(4)12(15)9-16-8-11(3)14/h10H,5-9H2,1-4H3
InChIKeyMONPRMHZWNBJAD-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-(2-methoxyethyl)-N-methyl-2-(2-oxopropoxy)acetamide
CID 153486045
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
1-(10-methylundecoxy)propan-2-one
CID 171604608
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
CID 166733349
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide?
The IUPAC name of N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide (CID 118260688) is N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide?
The canonical SMILES for N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide is CC(=O)COCC(=O)N(C)CCCC(C)C.
What is the InChIKey of N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide?
The InChIKey is MONPRMHZWNBJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)6-5-7-13(4)12(15)9-16-8-11(3)14/h10H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide?
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide is sourced from PubChem (CID 118260688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).