N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide

C16H27N3O — CID 115378236

IUPACN-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
SMILESCc1ccc(NC(C)C(=O)NC(C)(C)C)cc1N(C)C
InChIInChI=1S/C16H27N3O/c1-11-8-9-13(10-14(11)19(6)7)17-12(2)15(20)18-16(3,4)5/h8-10,12,17H,1-7H3,(H,18,20)
InChIKeyIDSZKHSAHPFPDO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds4

About N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide

N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide (PubChem CID 115378236) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
PubChem CID115378236
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
SMILESCc1ccc(NC(C)C(=O)NC(C)(C)C)cc1N(C)C
InChIInChI=1S/C16H27N3O/c1-11-8-9-13(10-14(11)19(6)7)17-12(2)15(20)18-16(3,4)5/h8-10,12,17H,1-7H3,(H,18,20)
InChIKeyIDSZKHSAHPFPDO-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
(2R)-N-tert-butyl-2-(3-methyl-4-nitroanilino)propanamide
CID 95904358
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
N-tert-butyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 45282112
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
The IUPAC name of N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide (CID 115378236) is N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide is Cc1ccc(NC(C)C(=O)NC(C)(C)C)cc1N(C)C.
What is the InChIKey of N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
The InChIKey is IDSZKHSAHPFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-8-9-13(10-14(11)19(6)7)17-12(2)15(20)18-16(3,4)5/h8-10,12,17H,1-7H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide is sourced from PubChem (CID 115378236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).