N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide

C18H29NO — CID 18735871

IUPACN-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)c(C)c1)C(=O)CC(C)(C)C
InChIInChI=1S/C18H29NO/c1-7-10-19(17(20)12-18(4,5)6)13-16-9-8-14(2)15(3)11-16/h8-9,11H,7,10,12-13H2,1-6H3
InChIKeyAGBCUMGELDVIHN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide

N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide (PubChem CID 18735871) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide
PubChem CID18735871
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide
SMILESCCCN(Cc1ccc(C)c(C)c1)C(=O)CC(C)(C)C
InChIInChI=1S/C18H29NO/c1-7-10-19(17(20)12-18(4,5)6)13-16-9-8-14(2)15(3)11-16/h8-9,11H,7,10,12-13H2,1-6H3
InChIKeyAGBCUMGELDVIHN-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide (CID 18735871) is N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide is CCCN(Cc1ccc(C)c(C)c1)C(=O)CC(C)(C)C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide?
The InChIKey is AGBCUMGELDVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-10-19(17(20)12-18(4,5)6)13-16-9-8-14(2)15(3)11-16/h8-9,11H,7,10,12-13H2,1-6H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide?
N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide has a molecular weight of 275.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutanamide is sourced from PubChem (CID 18735871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).