N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide

C18H21NO5 — CID 91676904

IUPACN-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(C)O)cc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-11(20)12-5-7-14(8-6-12)19-18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11,20H,1-4H3,(H,19,21)
InChIKeyYVBWOEFFMKHXDG-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.02
Rot. Bonds6

About N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide

N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 91676904) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID91676904
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(C)O)cc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO5/c1-11(20)12-5-7-14(8-6-12)19-18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11,20H,1-4H3,(H,19,21)
InChIKeyYVBWOEFFMKHXDG-UHFFFAOYSA-N
XLogP3.02
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
(E)-3-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]prop-2-enoic acid
CID 21486337

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide (CID 91676904) is N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(C)O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YVBWOEFFMKHXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-11(20)12-5-7-14(8-6-12)19-18(21)13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11,20H,1-4H3,(H,19,21).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 91676904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).