4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide

C16H22N2O4 — CID 99814284

IUPAC4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
SMILESCN(C[C@@H]1CCOC1)C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H22N2O4/c1-18(10-12-6-8-21-11-12)15(19)7-9-22-14-4-2-13(3-5-14)16(17)20/h2-5,12H,6-11H2,1H3,(H2,17,20)/t12-/m0/s1
InChIKeyJAFQDJHSZQTZEQ-LBPRGKRZSA-N
MW306.36 g/mol
LogP1.05
Rot. Bonds7

About 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide

4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide (PubChem CID 99814284) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
PubChem CID99814284
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
SMILESCN(C[C@@H]1CCOC1)C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H22N2O4/c1-18(10-12-6-8-21-11-12)15(19)7-9-22-14-4-2-13(3-5-14)16(17)20/h2-5,12H,6-11H2,1H3,(H2,17,20)/t12-/m0/s1
InChIKeyJAFQDJHSZQTZEQ-LBPRGKRZSA-N
XLogP1.05
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686756
4-[3-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686884
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 112739036
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
3-(4-aminophenoxy)-N-(oxolan-3-ylmethyl)propanamide
CID 61112787
4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 63712202

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide (CID 99814284) is 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide is CN(C[C@@H]1CCOC1)C(=O)CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide?
The InChIKey is JAFQDJHSZQTZEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-18(10-12-6-8-21-11-12)15(19)7-9-22-14-4-2-13(3-5-14)16(17)20/h2-5,12H,6-11H2,1H3,(H2,17,20)/t12-/m0/s1.
What are the key properties of 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide?
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide has a molecular weight of 306.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 99814284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).