N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide

C18H28N2O2 — CID 113000635

IUPACN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-6-8-16(21)19-11-17(22)20-18-14(12(2)3)9-7-10-15(18)13(4)5/h7,9-10,12-13H,6,8,11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyYDJFWFIXTBBTBR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.79
Rot. Bonds7

About N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide

N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide (PubChem CID 113000635) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
PubChem CID113000635
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-6-8-16(21)19-11-17(22)20-18-14(12(2)3)9-7-10-15(18)13(4)5/h7,9-10,12-13H,6,8,11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyYDJFWFIXTBBTBR-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
N-[2,6-di(propan-2-yl)phenyl]-4-tetradecylsulfanylbutanamide
CID 19002325
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide (CID 113000635) is N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide?
The InChIKey is YDJFWFIXTBBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-8-16(21)19-11-17(22)20-18-14(12(2)3)9-7-10-15(18)13(4)5/h7,9-10,12-13H,6,8,11H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide?
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide has a molecular weight of 304.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide is sourced from PubChem (CID 113000635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).