N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide

C19H25N3O5 — CID 123370060

IUPACN-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NNc2cc(OC)c(OC)c(OC)c2)ccc1CO
InChIInChI=1S/C19H25N3O5/c1-5-18(24)20-15-8-13(7-6-12(15)11-23)21-22-14-9-16(25-2)19(27-4)17(10-14)26-3/h6-10,21-23H,5,11H2,1-4H3,(H,20,24)
InChIKeySQWXTLBDEXVHSC-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.99
Rot. Bonds9

About N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide

N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide (PubChem CID 123370060) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide
PubChem CID123370060
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NNc2cc(OC)c(OC)c(OC)c2)ccc1CO
InChIInChI=1S/C19H25N3O5/c1-5-18(24)20-15-8-13(7-6-12(15)11-23)21-22-14-9-16(25-2)19(27-4)17(10-14)26-3/h6-10,21-23H,5,11H2,1-4H3,(H,20,24)
InChIKeySQWXTLBDEXVHSC-UHFFFAOYSA-N
XLogP2.99
TPSA101.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-[3,5-dimethoxy-4-(methylamino)phenyl]-4-(hydroxymethyl)-3-(propanoylamino)benzamide
CID 58360072
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
3-(2-fluoropropanoylamino)-4-(hydroxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 58360079
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 140732055
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide?
The IUPAC name of N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide (CID 123370060) is N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide?
The canonical SMILES for N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide is CCC(=O)Nc1cc(NNc2cc(OC)c(OC)c(OC)c2)ccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide?
The InChIKey is SQWXTLBDEXVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-5-18(24)20-15-8-13(7-6-12(15)11-23)21-22-14-9-16(25-2)19(27-4)17(10-14)26-3/h6-10,21-23H,5,11H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide?
N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 2.99, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-5-[2-(3,4,5-trimethoxyphenyl)hydrazinyl]phenyl]propanamide is sourced from PubChem (CID 123370060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).