N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide

C16H18N2O4 — CID 9475464

IUPACN-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H18N2O4/c1-10(2)17-14(19)9-18(3)15(20)12-8-11-6-4-5-7-13(11)22-16(12)21/h4-8,10H,9H2,1-3H3,(H,17,19)
InChIKeyROHQNYPUSJVVKF-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide

N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide (PubChem CID 9475464) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
PubChem CID9475464
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H18N2O4/c1-10(2)17-14(19)9-18(3)15(20)12-8-11-6-4-5-7-13(11)22-16(12)21/h4-8,10H,9H2,1-3H3,(H,17,19)
InChIKeyROHQNYPUSJVVKF-UHFFFAOYSA-N
XLogP1.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54511869
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide (CID 9475464) is N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide is CC(C)NC(=O)CN(C)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide?
The InChIKey is ROHQNYPUSJVVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(2)17-14(19)9-18(3)15(20)12-8-11-6-4-5-7-13(11)22-16(12)21/h4-8,10H,9H2,1-3H3,(H,17,19).
What are the key properties of N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide?
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 9475464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).