N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

C16H21NO3 — CID 115700275

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H21NO3/c1-12(2)11-19-10-8-17-16(18)14-7-9-20-15-6-4-3-5-13(14)15/h3-6,14H,1,7-11H2,2H3,(H,17,18)
InChIKeyJUSWDNXBQNXYKZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 115700275) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID115700275
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H21NO3/c1-12(2)11-19-10-8-17-16(18)14-7-9-20-15-6-4-3-5-13(14)15/h3-6,14H,1,7-11H2,2H3,(H,17,18)
InChIKeyJUSWDNXBQNXYKZ-UHFFFAOYSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103512642
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103767456
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 71973238

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 115700275) is N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is C=C(C)COCCNC(=O)C1CCOc2ccccc21.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is JUSWDNXBQNXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)11-19-10-8-17-16(18)14-7-9-20-15-6-4-3-5-13(14)15/h3-6,14H,1,7-11H2,2H3,(H,17,18).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 115700275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).