N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide

C14H15NO5 — CID 142676434

IUPACN-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1c(CCC(=O)NO)c(=O)oc2ccc(C)cc12
InChIInChI=1S/C14H15NO5/c1-8-3-5-11-10(7-8)13(19-2)9(14(17)20-11)4-6-12(16)15-18/h3,5,7,18H,4,6H2,1-2H3,(H,15,16)
InChIKeyAOOMNHUIZUGMGS-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.55
Rot. Bonds4

About N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide

N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 142676434) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide
PubChem CID142676434
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC NameN-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1c(CCC(=O)NO)c(=O)oc2ccc(C)cc12
InChIInChI=1S/C14H15NO5/c1-8-3-5-11-10(7-8)13(19-2)9(14(17)20-11)4-6-12(16)15-18/h3,5,7,18H,4,6H2,1-2H3,(H,15,16)
InChIKeyAOOMNHUIZUGMGS-UHFFFAOYSA-N
XLogP1.55
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide
CID 142676428
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 24524842
N-(2-bromophenyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 17498930
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
2-(4-methoxy-2-oxochromen-3-yl)acetic acid
CID 90279946
4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide
CID 24531696
2-hydroxyethyl 2,2-bis(4-hydroxy-6-methyl-2-oxochromen-3-yl)acetate
CID 59746837
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
3-[3-(3,4-dimethoxyphenyl)-3-oxopropyl]-4-hydroxychromen-2-one
CID 123506918

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide (CID 142676434) is N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide is COc1c(CCC(=O)NO)c(=O)oc2ccc(C)cc12.
What is the InChIKey of N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is AOOMNHUIZUGMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-3-5-11-10(7-8)13(19-2)9(14(17)20-11)4-6-12(16)15-18/h3,5,7,18H,4,6H2,1-2H3,(H,15,16).
What are the key properties of N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide?
N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 277.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 142676434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).