N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide

C16H25NO — CID 110316778

IUPACN,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
SMILESCCN(CC)C(=O)C(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H25NO/c1-6-17(7-2)16(18)15(12(3)4)14-10-8-13(5)9-11-14/h8-12,15H,6-7H2,1-5H3
InChIKeyKKSYTYQIHDNBAN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds5

About N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide

N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide (PubChem CID 110316778) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
PubChem CID110316778
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
SMILESCCN(CC)C(=O)C(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H25NO/c1-6-17(7-2)16(18)15(12(3)4)14-10-8-13(5)9-11-14/h8-12,15H,6-7H2,1-5H3
InChIKeyKKSYTYQIHDNBAN-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(4-methylphenyl)butanoyl chloride
CID 14359807
(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
CID 97329844
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-(4-chlorophenyl)-N,N-bis(2-hydroxyethyl)-3-methylbutanamide
CID 60653667
3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide
CID 110316745
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
CID 114172115

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide?
The IUPAC name of N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide (CID 110316778) is N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide.
What is the SMILES notation for N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide?
The canonical SMILES for N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide is CCN(CC)C(=O)C(c1ccc(C)cc1)C(C)C.
What is the InChIKey of N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide?
The InChIKey is KKSYTYQIHDNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-17(7-2)16(18)15(12(3)4)14-10-8-13(5)9-11-14/h8-12,15H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide?
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide has a molecular weight of 247.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide is sourced from PubChem (CID 110316778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).