4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide

C24H30N2O7 — CID 55807172

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(COCC3CCCCO3)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H30N2O7/c1-29-20-11-17(12-21(30-2)23(20)33-15-22(25)27)24(28)26-18-7-5-6-16(10-18)13-31-14-19-8-3-4-9-32-19/h5-7,10-12,19H,3-4,8-9,13-15H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyVRYQHJCATJZFKV-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.91
Rot. Bonds11

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide (PubChem CID 55807172) has the molecular formula C24H30N2O7 and a molecular weight of 458.51 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
PubChem CID55807172
Molecular FormulaC24H30N2O7
Molecular Weight458.51 g/mol
Exact Mass458.21
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(COCC3CCCCO3)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H30N2O7/c1-29-20-11-17(12-21(30-2)23(20)33-15-22(25)27)24(28)26-18-7-5-6-16(10-18)13-31-14-19-8-3-4-9-32-19/h5-7,10-12,19H,3-4,8-9,13-15H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyVRYQHJCATJZFKV-UHFFFAOYSA-N
XLogP2.91
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55932192
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
1-[(2R)-2-(dimethylamino)propyl]-3-[3-[[(2S)-oxan-2-yl]methoxymethyl]phenyl]urea
CID 95760194
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide (CID 55807172) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(COCC3CCCCO3)c2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
The InChIKey is VRYQHJCATJZFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7/c1-29-20-11-17(12-21(30-2)23(20)33-15-22(25)27)24(28)26-18-7-5-6-16(10-18)13-31-14-19-8-3-4-9-32-19/h5-7,10-12,19H,3-4,8-9,13-15H2,1-2H3,(H2,25,27)(H,26,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 55807172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).