(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide

C19H16N2O6 — CID 94332276

IUPAC(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C19H16N2O6/c1-11-9-18(22)27-17-10-13(3-8-16(11)17)20-19(23)12(2)26-15-6-4-14(5-7-15)21(24)25/h3-10,12H,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyFAENHSBNMDQUOY-LBPRGKRZSA-N
MW368.35 g/mol
LogP3.42
Rot. Bonds5

About (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide

(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide (PubChem CID 94332276) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
PubChem CID94332276
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C19H16N2O6/c1-11-9-18(22)27-17-10-13(3-8-16(11)17)20-19(23)12(2)26-15-6-4-14(5-7-15)21(24)25/h3-10,12H,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyFAENHSBNMDQUOY-LBPRGKRZSA-N
XLogP3.42
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 19191782
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 2206819
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide (CID 94332276) is (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide is Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)ccc12.
What is the InChIKey of (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is FAENHSBNMDQUOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-11-9-18(22)27-17-10-13(3-8-16(11)17)20-19(23)12(2)26-15-6-4-14(5-7-15)21(24)25/h3-10,12H,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide?
(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide has a molecular weight of 368.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 94332276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).