N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide

C15H18N2O2 — CID 63184213

IUPACN-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCCN(CC#N)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-2-9-17(10-8-16)15(18)13-7-11-19-14-6-4-3-5-12(13)14/h3-6,13H,2,7,9-11H2,1H3
InChIKeyKFCIAWPZNCWNHF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.31
Rot. Bonds4

About N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63184213) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63184213
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCCN(CC#N)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-2-9-17(10-8-16)15(18)13-7-11-19-14-6-4-3-5-12(13)14/h3-6,13H,2,7,9-11H2,1H3
InChIKeyKFCIAWPZNCWNHF-UHFFFAOYSA-N
XLogP2.31
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709229
methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
CID 63237160
N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63297027
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119825491
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 79663387
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
N-(3-aminopropyl)-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708282
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 107493571
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 63184213) is N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide is CCCN(CC#N)C(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is KFCIAWPZNCWNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-9-17(10-8-16)15(18)13-7-11-19-14-6-4-3-5-12(13)14/h3-6,13H,2,7,9-11H2,1H3.
What are the key properties of N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63184213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).