N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide

C22H26N2O4 — CID 78798898

IUPACN-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)CC1CCCO1
InChIInChI=1S/C22H26N2O4/c1-16-7-2-4-10-19(16)22(27)23-13-21(26)24(15-18-9-6-12-28-18)14-17-8-3-5-11-20(17)25/h2-5,7-8,10-11,18,25H,6,9,12-15H2,1H3,(H,23,27)
InChIKeySMCJDPYSFSNKOA-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide

N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 78798898) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID78798898
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)CC1CCCO1
InChIInChI=1S/C22H26N2O4/c1-16-7-2-4-10-19(16)22(27)23-13-21(26)24(15-18-9-6-12-28-18)14-17-8-3-5-11-20(17)25/h2-5,7-8,10-11,18,25H,6,9,12-15H2,1H3,(H,23,27)
InChIKeySMCJDPYSFSNKOA-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520023
N-[(2-hydroxyphenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 60520041
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
1-[(2-hydroxyphenyl)methyl]-3-(2-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea
CID 42996175
N-[(2-hydroxyphenyl)methyl]-1,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95771309
2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 78798881
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 78798860
3-benzyl-1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 42996165
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 55770012

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide (CID 78798898) is N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1O)CC1CCCO1.
What is the InChIKey of N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is SMCJDPYSFSNKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16-7-2-4-10-19(16)22(27)23-13-21(26)24(15-18-9-6-12-28-18)14-17-8-3-5-11-20(17)25/h2-5,7-8,10-11,18,25H,6,9,12-15H2,1H3,(H,23,27).
What are the key properties of N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 78798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).