4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide

C21H22N2O5 — CID 131896434

IUPAC4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cc(C(=O)Nc2cc(OC)ccc2NC(=O)CC)ccc1OC
InChIInChI=1S/C21H22N2O5/c1-5-11-28-19-12-14(7-10-18(19)27-4)21(25)23-17-13-15(26-3)8-9-16(17)22-20(24)6-2/h1,7-10,12-13H,6,11H2,2-4H3,(H,22,24)(H,23,25)
InChIKeyBEAJKEZLEOSUGM-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.32
Rot. Bonds8

About 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide

4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide (PubChem CID 131896434) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide
PubChem CID131896434
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cc(C(=O)Nc2cc(OC)ccc2NC(=O)CC)ccc1OC
InChIInChI=1S/C21H22N2O5/c1-5-11-28-19-12-14(7-10-18(19)27-4)21(25)23-17-13-15(26-3)8-9-16(17)22-20(24)6-2/h1,7-10,12-13H,6,11H2,2-4H3,(H,22,24)(H,23,25)
InChIKeyBEAJKEZLEOSUGM-UHFFFAOYSA-N
XLogP3.32
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
CID 6471423
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
N-(3,3-dimethylbutan-2-yl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59301808
N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide
CID 17341352
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
CID 110499819
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide?
The IUPAC name of 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide (CID 131896434) is 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide.
What is the SMILES notation for 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide?
The canonical SMILES for 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide is C#CCOc1cc(C(=O)Nc2cc(OC)ccc2NC(=O)CC)ccc1OC.
What is the InChIKey of 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide?
The InChIKey is BEAJKEZLEOSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-11-28-19-12-14(7-10-18(19)27-4)21(25)23-17-13-15(26-3)8-9-16(17)22-20(24)6-2/h1,7-10,12-13H,6,11H2,2-4H3,(H,22,24)(H,23,25).
What are the key properties of 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide?
4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide has a molecular weight of 382.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-methoxy-2-(propanoylamino)phenyl]-3-prop-2-ynoxybenzamide is sourced from PubChem (CID 131896434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).