N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide

C15H24N2O2 — CID 60600720

IUPACN-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(C)CCN(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(9-10-17(2)3)16-15(18)14-7-5-13(6-8-14)11-19-4/h5-8,12H,9-11H2,1-4H3,(H,16,18)
InChIKeyZKWJUFQECYIBCP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds7

About N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide

N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide (PubChem CID 60600720) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
PubChem CID60600720
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(C)CCN(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(9-10-17(2)3)16-15(18)14-7-5-13(6-8-14)11-19-4/h5-8,12H,9-11H2,1-4H3,(H,16,18)
InChIKeyZKWJUFQECYIBCP-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
CID 43405155
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[4-(dimethylamino)butan-2-yl]-4-fluoro-3-sulfanylbenzamide
CID 107025789
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide (CID 60600720) is N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NC(C)CCN(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide?
The InChIKey is ZKWJUFQECYIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(9-10-17(2)3)16-15(18)14-7-5-13(6-8-14)11-19-4/h5-8,12H,9-11H2,1-4H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide?
N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide has a molecular weight of 264.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 60600720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).