N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide

C15H23N3O2 — CID 63213686

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC(C)(C)C(N)=O)cc1C
InChIInChI=1S/C15H23N3O2/c1-5-8-17-12-7-6-11(9-10(12)2)13(19)18-15(3,4)14(16)20/h6-7,9,17H,5,8H2,1-4H3,(H2,16,20)(H,18,19)
InChIKeyWBXYJFQFWJUCJT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds6

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide (PubChem CID 63213686) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
PubChem CID63213686
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NC(C)(C)C(N)=O)cc1C
InChIInChI=1S/C15H23N3O2/c1-5-8-17-12-7-6-11(9-10(12)2)13(19)18-15(3,4)14(16)20/h6-7,9,17H,5,8H2,1-4H3,(H2,16,20)(H,18,19)
InChIKeyWBXYJFQFWJUCJT-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55047201
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
4-(heptylamino)-3-methylbenzamide
CID 43706885
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
CID 63214108
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
3-methyl-N-(5-oxopyrrolidin-3-yl)-4-(propylamino)benzamide
CID 106197813
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide (CID 63213686) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NC(C)(C)C(N)=O)cc1C.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide?
The InChIKey is WBXYJFQFWJUCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-8-17-12-7-6-11(9-10(12)2)13(19)18-15(3,4)14(16)20/h6-7,9,17H,5,8H2,1-4H3,(H2,16,20)(H,18,19).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide is sourced from PubChem (CID 63213686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).