N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide

C20H25N3O5 — CID 58360072

IUPACN-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2cc(OC)c(NC)c(OC)c2)ccc1CO
InChIInChI=1S/C20H25N3O5/c1-5-18(25)23-15-8-12(6-7-13(15)11-24)20(26)22-14-9-16(27-3)19(21-2)17(10-14)28-4/h6-10,21,24H,5,11H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyOFSOPVSYHWMVOW-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.84
Rot. Bonds8

About N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide

N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide (PubChem CID 58360072) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide
PubChem CID58360072
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2cc(OC)c(NC)c(OC)c2)ccc1CO
InChIInChI=1S/C20H25N3O5/c1-5-18(25)23-15-8-12(6-7-13(15)11-24)20(26)22-14-9-16(27-3)19(21-2)17(10-14)28-4/h6-10,21,24H,5,11H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyOFSOPVSYHWMVOW-UHFFFAOYSA-N
XLogP2.84
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 58360079
N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide
CID 123370060
N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide
CID 25255327
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
methyl 4-(methylamino)-3-(propanoylamino)benzoate
CID 75176248
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide
CID 56944157
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide (CID 58360072) is N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cc(C(=O)Nc2cc(OC)c(NC)c(OC)c2)ccc1CO.
What is the InChIKey of N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide?
The InChIKey is OFSOPVSYHWMVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-5-18(25)23-15-8-12(6-7-13(15)11-24)20(26)22-14-9-16(27-3)19(21-2)17(10-14)28-4/h6-10,21,24H,5,11H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide?
N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 58360072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).