N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide

C15H18N2O4 — CID 104593757

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
SMILESCC(O)CNCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H18N2O4/c1-10(18)9-16-6-7-17-14(19)12-8-11-4-2-3-5-13(11)21-15(12)20/h2-5,8,10,16,18H,6-7,9H2,1H3,(H,17,19)
InChIKeyUZQOFQBAKHXDSA-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.49
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 104593757) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
PubChem CID104593757
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
SMILESCC(O)CNCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H18N2O4/c1-10(18)9-16-6-7-17-14(19)12-8-11-4-2-3-5-13(11)21-15(12)20/h2-5,8,10,16,18H,6-7,9H2,1H3,(H,17,19)
InChIKeyUZQOFQBAKHXDSA-UHFFFAOYSA-N
XLogP0.49
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
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-(3-hydroxy-3-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 71787831
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174
N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-oxochromene-3-carboxamide
CID 97042914
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide (CID 104593757) is N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide is CC(O)CNCCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is UZQOFQBAKHXDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)9-16-6-7-17-14(19)12-8-11-4-2-3-5-13(11)21-15(12)20/h2-5,8,10,16,18H,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 104593757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).