N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide

C17H19NO4 — CID 100803459

IUPACN-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c(OC)c1
InChIInChI=1S/C17H19NO4/c1-11(19)12-4-6-13(7-5-12)18-17(20)15-9-8-14(21-2)10-16(15)22-3/h4-11,19H,1-3H3,(H,18,20)/t11-/m1/s1
InChIKeyUZSAOMICOGAFSJ-LLVKDONJSA-N
MW301.34 g/mol
LogP3.01
Rot. Bonds5

About N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide

N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide (PubChem CID 100803459) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
PubChem CID100803459
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c(OC)c1
InChIInChI=1S/C17H19NO4/c1-11(19)12-4-6-13(7-5-12)18-17(20)15-9-8-14(21-2)10-16(15)22-3/h4-11,19H,1-3H3,(H,18,20)/t11-/m1/s1
InChIKeyUZSAOMICOGAFSJ-LLVKDONJSA-N
XLogP3.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2,4-dimethoxy-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]benzamide
CID 96521984
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
2-[[4-(1-hydroxyethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 10620419
2,4-dimethoxy-N-[(Z)-[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]benzamide
CID 6109714

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide (CID 100803459) is N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c(OC)c1.
What is the InChIKey of N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide?
The InChIKey is UZSAOMICOGAFSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(19)12-4-6-13(7-5-12)18-17(20)15-9-8-14(21-2)10-16(15)22-3/h4-11,19H,1-3H3,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide?
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide has a molecular weight of 301.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 100803459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).