N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide

C16H19NO5 — CID 142676428

IUPACN-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide
SMILESCc1ccc2oc(=O)c(CCC(=O)NO)c(OC(C)C)c2c1
InChIInChI=1S/C16H19NO5/c1-9(2)21-15-11(5-7-14(18)17-20)16(19)22-13-6-4-10(3)8-12(13)15/h4,6,8-9,20H,5,7H2,1-3H3,(H,17,18)
InChIKeyQLJWNMKBLQSIKW-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.33
Rot. Bonds5

About N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide

N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide (PubChem CID 142676428) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide
PubChem CID142676428
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide
SMILESCc1ccc2oc(=O)c(CCC(=O)NO)c(OC(C)C)c2c1
InChIInChI=1S/C16H19NO5/c1-9(2)21-15-11(5-7-14(18)17-20)16(19)22-13-6-4-10(3)8-12(13)15/h4,6,8-9,20H,5,7H2,1-3H3,(H,17,18)
InChIKeyQLJWNMKBLQSIKW-UHFFFAOYSA-N
XLogP2.33
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.33
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-(4-methoxy-6-methyl-2-oxochromen-3-yl)propanamide
CID 142676434
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
[(2R)-1-amino-1-oxopropan-2-yl] 3-(4,7-dimethyl-2-oxochromen-3-yl)propanoate
CID 27616910
N-[1-(3-chlorophenyl)ethyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24524850
4-hydroxy-6-methyl-3-(3-oxo-2-phenylbutyl)chromen-2-one
CID 54690931
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
2-hydroxyethyl 2,2-bis(4-hydroxy-6-methyl-2-oxochromen-3-yl)acetate
CID 59746837
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide?
The IUPAC name of N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide (CID 142676428) is N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide is Cc1ccc2oc(=O)c(CCC(=O)NO)c(OC(C)C)c2c1.
What is the InChIKey of N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide?
The InChIKey is QLJWNMKBLQSIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-9(2)21-15-11(5-7-14(18)17-20)16(19)22-13-6-4-10(3)8-12(13)15/h4,6,8-9,20H,5,7H2,1-3H3,(H,17,18).
What are the key properties of N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide?
N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide has a molecular weight of 305.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(6-methyl-2-oxo-4-propan-2-yloxychromen-3-yl)propanamide is sourced from PubChem (CID 142676428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).