N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide

C16H22N2O3 — CID 122566630

IUPACN,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CC2CCOC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)16(20)14-5-3-12(4-6-14)10-17-15(19)9-13-7-8-21-11-13/h3-6,13H,7-11H2,1-2H3,(H,17,19)
InChIKeyHNCHLPPEKTVJED-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.43
Rot. Bonds5

About N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide

N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 122566630) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
PubChem CID122566630
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)CC2CCOC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)16(20)14-5-3-12(4-6-14)10-17-15(19)9-13-7-8-21-11-13/h3-6,13H,7-11H2,1-2H3,(H,17,19)
InChIKeyHNCHLPPEKTVJED-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-[[[2-[(3S)-oxan-3-yl]acetyl]amino]methyl]furan-2-carboxamide
CID 126431945
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
CID 126451194
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
2-methoxy-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]benzoic acid
CID 125153443
2-[4-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 167929677
4-[[[N-[2-[(2-cyclopentylacetyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111874985
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009
N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
CID 124624589
4-[[[methyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 119068665
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide (CID 122566630) is N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide is CN(C)C(=O)c1ccc(CNC(=O)CC2CCOC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide?
The InChIKey is HNCHLPPEKTVJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)16(20)14-5-3-12(4-6-14)10-17-15(19)9-13-7-8-21-11-13/h3-6,13H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide?
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 122566630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).