N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide

C16H26N2O — CID 109012984

IUPACN-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-14(5)18-15(19)7-8-17-16-12(3)9-11(2)10-13(16)4/h9-10,14,17H,6-8H2,1-5H3,(H,18,19)
InChIKeyKOGSPFQKUTWTRM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.33
Rot. Bonds6

About N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide

N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide (PubChem CID 109012984) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
PubChem CID109012984
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-14(5)18-15(19)7-8-17-16-12(3)9-11(2)10-13(16)4/h9-10,14,17H,6-8H2,1-5H3,(H,18,19)
InChIKeyKOGSPFQKUTWTRM-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]amino]propanamide
CID 55913084
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
N-butan-2-yl-3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]propanamide
CID 60966544
N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811803
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide
CID 94088031
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide (CID 109012984) is N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide is CCC(C)NC(=O)CCNc1c(C)cc(C)cc1C.
What is the InChIKey of N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide?
The InChIKey is KOGSPFQKUTWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-14(5)18-15(19)7-8-17-16-12(3)9-11(2)10-13(16)4/h9-10,14,17H,6-8H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide?
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide is sourced from PubChem (CID 109012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).