N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide

C15H18N2O3 — CID 166411557

IUPACN-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N[C@@H](C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18N2O3/c1-3-14(18)16-9-15(19)17-10(2)11-4-5-13-12(8-11)6-7-20-13/h3-5,8,10H,1,6-7,9H2,2H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyDROYYBXFIWLMEL-JTQLQIEISA-N
MW274.32 g/mol
LogP1.10
Rot. Bonds5

About N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide

N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide (PubChem CID 166411557) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
PubChem CID166411557
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N[C@@H](C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18N2O3/c1-3-14(18)16-9-15(19)17-10(2)11-4-5-13-12(8-11)6-7-20-13/h3-5,8,10H,1,6-7,9H2,2H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyDROYYBXFIWLMEL-JTQLQIEISA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 134036096
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 20994890
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 51653519
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592381
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592382
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
CID 136588214
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 43778171
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide (CID 166411557) is N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N[C@@H](C)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is DROYYBXFIWLMEL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-14(18)16-9-15(19)17-10(2)11-4-5-13-12(8-11)6-7-20-13/h3-5,8,10H,1,6-7,9H2,2H3,(H,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide?
N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 166411557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).