N-butan-2-yl-3-(dimethylamino)benzamide

C13H20N2O — CID 17310829

IUPACN-butan-2-yl-3-(dimethylamino)benzamide
SMILESCCC(C)NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H20N2O/c1-5-10(2)14-13(16)11-7-6-8-12(9-11)15(3)4/h6-10H,5H2,1-4H3,(H,14,16)
InChIKeyGYCHCHKCRMYFSB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.28
Rot. Bonds4

About N-butan-2-yl-3-(dimethylamino)benzamide

N-butan-2-yl-3-(dimethylamino)benzamide (PubChem CID 17310829) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-butan-2-yl-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(dimethylamino)benzamide
PubChem CID17310829
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-butan-2-yl-3-(dimethylamino)benzamide
SMILESCCC(C)NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H20N2O/c1-5-10(2)14-13(16)11-7-6-8-12(9-11)15(3)4/h6-10H,5H2,1-4H3,(H,14,16)
InChIKeyGYCHCHKCRMYFSB-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid
CID 61244556

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(dimethylamino)benzamide?
The IUPAC name of N-butan-2-yl-3-(dimethylamino)benzamide (CID 17310829) is N-butan-2-yl-3-(dimethylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(dimethylamino)benzamide?
The canonical SMILES for N-butan-2-yl-3-(dimethylamino)benzamide is CCC(C)NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-butan-2-yl-3-(dimethylamino)benzamide?
The InChIKey is GYCHCHKCRMYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10(2)14-13(16)11-7-6-8-12(9-11)15(3)4/h6-10H,5H2,1-4H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-(dimethylamino)benzamide?
N-butan-2-yl-3-(dimethylamino)benzamide has a molecular weight of 220.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(dimethylamino)benzamide is sourced from PubChem (CID 17310829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).