N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide

C14H18N2O2 — CID 78912235

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-2-8-15-10-14(17)16-12-7-9-18-13-6-4-3-5-11(12)13/h2-6,12,15H,1,7-10H2,(H,16,17)
InChIKeyZDVBKKYTEQBOMP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 78912235) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
PubChem CID78912235
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-2-8-15-10-14(17)16-12-7-9-18-13-6-4-3-5-11(12)13/h2-6,12,15H,1,7-10H2,(H,16,17)
InChIKeyZDVBKKYTEQBOMP-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285946
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159559
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
N-[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9047848
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47008000
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide (CID 78912235) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is ZDVBKKYTEQBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-8-15-10-14(17)16-12-7-9-18-13-6-4-3-5-11(12)13/h2-6,12,15H,1,7-10H2,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78912235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).