N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide

C15H16N2O4 — CID 91954791

IUPACN-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H16N2O4/c1-17(2)13(18)7-8-16-14(19)11-9-10-5-3-4-6-12(10)21-15(11)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyVIVFVUOBPAZRQJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.00
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide (PubChem CID 91954791) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
PubChem CID91954791
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H16N2O4/c1-17(2)13(18)7-8-16-14(19)11-9-10-5-3-4-6-12(10)21-15(11)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyVIVFVUOBPAZRQJ-UHFFFAOYSA-N
XLogP1.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.00
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

2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
CID 110667582
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide (CID 91954791) is N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide is CN(C)C(=O)CCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide?
The InChIKey is VIVFVUOBPAZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17(2)13(18)7-8-16-14(19)11-9-10-5-3-4-6-12(10)21-15(11)20/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 91954791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).