N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide

C18H29NO — CID 71107442

IUPACN-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
SMILESCCCCN(C(=O)C(C)(C)CC)c1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-6-9-13-19(17(20)18(4,5)8-3)16-12-10-11-15(7-2)14-16/h10-12,14H,6-9,13H2,1-5H3
InChIKeySNIFHKLERUPJSZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.82
Rot. Bonds7

About N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide

N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide (PubChem CID 71107442) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
PubChem CID71107442
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
SMILESCCCCN(C(=O)C(C)(C)CC)c1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-6-9-13-19(17(20)18(4,5)8-3)16-12-10-11-15(7-2)14-16/h10-12,14H,6-9,13H2,1-5H3
InChIKeySNIFHKLERUPJSZ-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
CID 62677429
N-butyl-N-[3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 18736126
N-(3-ethylphenyl)-N-heptan-2-yl-3,3-dimethylbutanamide
CID 18735943
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
CID 18735896
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
CID 125116625
N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
CID 18736125
N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide (CID 71107442) is N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide is CCCCN(C(=O)C(C)(C)CC)c1cccc(CC)c1.
What is the InChIKey of N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide?
The InChIKey is SNIFHKLERUPJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-9-13-19(17(20)18(4,5)8-3)16-12-10-11-15(7-2)14-16/h10-12,14H,6-9,13H2,1-5H3.
What are the key properties of N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide?
N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide has a molecular weight of 275.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 71107442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).