N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide

C18H20N2O5 — CID 55769477

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCCC(N)=O)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-23-12-7-8-13(16(11-12)24-2)18(22)20-14-5-3-4-6-15(14)25-10-9-17(19)21/h3-8,11H,9-10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyUNHFTSAWASKMBM-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.21
Rot. Bonds8

About N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide (PubChem CID 55769477) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide
PubChem CID55769477
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCCC(N)=O)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-23-12-7-8-13(16(11-12)24-2)18(22)20-14-5-3-4-6-15(14)25-10-9-17(19)21/h3-8,11H,9-10H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyUNHFTSAWASKMBM-UHFFFAOYSA-N
XLogP2.21
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-(2-butoxyphenyl)-2,4-diethoxybenzamide
CID 17087110
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55881745
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide (CID 55769477) is N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2OCCC(N)=O)c(OC)c1.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide?
The InChIKey is UNHFTSAWASKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-12-7-8-13(16(11-12)24-2)18(22)20-14-5-3-4-6-15(14)25-10-9-17(19)21/h3-8,11H,9-10H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide has a molecular weight of 344.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 55769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).