2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide

C19H18N2O2 — CID 91648959

IUPAC2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
SMILESN#CCC(=O)NC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H18N2O2/c20-11-10-18(22)21-19(14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-12-23-17/h1-3,5-6,8-9,13,19H,4,7,10,12H2,(H,21,22)
InChIKeyPFJSWSHJDDNBCB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.13
Rot. Bonds4

About 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide

2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide (PubChem CID 91648959) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
PubChem CID91648959
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
SMILESN#CCC(=O)NC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H18N2O2/c20-11-10-18(22)21-19(14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-12-23-17/h1-3,5-6,8-9,13,19H,4,7,10,12H2,(H,21,22)
InChIKeyPFJSWSHJDDNBCB-UHFFFAOYSA-N
XLogP3.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-nitrobenzamide
CID 102556629
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
CID 86897846

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide (CID 91648959) is 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide is N#CCC(=O)NC(c1ccccc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide?
The InChIKey is PFJSWSHJDDNBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-11-10-18(22)21-19(14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-12-23-17/h1-3,5-6,8-9,13,19H,4,7,10,12H2,(H,21,22).
What are the key properties of 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide?
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide is sourced from PubChem (CID 91648959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).