N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide

C16H27N3O — CID 115378263

IUPACN-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-7-12(3)17-16(20)13(4)18-14-9-8-11(2)15(10-14)19(5)6/h8-10,12-13,18H,7H2,1-6H3,(H,17,20)
InChIKeyRJHWMBCQSZVXTB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide

N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide (PubChem CID 115378263) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
PubChem CID115378263
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-7-12(3)17-16(20)13(4)18-14-9-8-11(2)15(10-14)19(5)6/h8-10,12-13,18H,7H2,1-6H3,(H,17,20)
InChIKeyRJHWMBCQSZVXTB-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
N-butan-2-yl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide
CID 43112666
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
2-[3-(dimethylamino)-4-methylanilino]hexanoic acid
CID 103260514
methyl 3-amino-2-[3-(dimethylamino)-4-methylanilino]propanoate
CID 114242330

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
The IUPAC name of N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide (CID 115378263) is N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide is CCC(C)NC(=O)C(C)Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
The InChIKey is RJHWMBCQSZVXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-7-12(3)17-16(20)13(4)18-14-9-8-11(2)15(10-14)19(5)6/h8-10,12-13,18H,7H2,1-6H3,(H,17,20).
What are the key properties of N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide?
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide is sourced from PubChem (CID 115378263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).