N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide

C24H27NO5 — CID 100905721

IUPACN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H](CO)C(C)C
InChIInChI=1S/C24H27NO5/c1-15(2)20(14-26)25-23(27)10-9-17-11-19-18(16-7-5-4-6-8-16)12-24(28)30-22(19)13-21(17)29-3/h4-8,11-13,15,20,26H,9-10,14H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyQAZIGWFTNIUWES-FQEVSTJZSA-N
MW409.48 g/mol
LogP3.53
Rot. Bonds8

About N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide (PubChem CID 100905721) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
PubChem CID100905721
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
SMILESCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H](CO)C(C)C
InChIInChI=1S/C24H27NO5/c1-15(2)20(14-26)25-23(27)10-9-17-11-19-18(16-7-5-4-6-8-16)12-24(28)30-22(19)13-21(17)29-3/h4-8,11-13,15,20,26H,9-10,14H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyQAZIGWFTNIUWES-FQEVSTJZSA-N
XLogP3.53
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100906391
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
2-(2-oxo-4-phenyl-6-propylchromen-7-yl)oxyacetamide
CID 166604353
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
2-(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxyacetic acid
CID 3664205
N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 42581163
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 125462640
2-(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 7150050
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)-N-(3-methoxypropyl)propanamide
CID 122169770

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide (CID 100905721) is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide is COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H](CO)C(C)C.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
The InChIKey is QAZIGWFTNIUWES-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27NO5/c1-15(2)20(14-26)25-23(27)10-9-17-11-19-18(16-7-5-4-6-8-16)12-24(28)30-22(19)13-21(17)29-3/h4-8,11-13,15,20,26H,9-10,14H2,1-3H3,(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide?
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide has a molecular weight of 409.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide is sourced from PubChem (CID 100905721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).