N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide

C17H20N2O4 — CID 171915554

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(C)N3CCOCC3)ccc12
InChIInChI=1S/C17H20N2O4/c1-11-9-16(20)23-15-10-13(3-4-14(11)15)18-17(21)12(2)19-5-7-22-8-6-19/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,21)
InChIKeyUERYHRHICCCBKB-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.76
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide

N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide (PubChem CID 171915554) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide
PubChem CID171915554
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(C)N3CCOCC3)ccc12
InChIInChI=1S/C17H20N2O4/c1-11-9-16(20)23-15-10-13(3-4-14(11)15)18-17(21)12(2)19-5-7-22-8-6-19/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,21)
InChIKeyUERYHRHICCCBKB-UHFFFAOYSA-N
XLogP1.76
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
CID 118780195
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide (CID 171915554) is N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide is Cc1cc(=O)oc2cc(NC(=O)C(C)N3CCOCC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide?
The InChIKey is UERYHRHICCCBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-9-16(20)23-15-10-13(3-4-14(11)15)18-17(21)12(2)19-5-7-22-8-6-19/h3-4,9-10,12H,5-8H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide?
N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide has a molecular weight of 316.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 171915554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).