[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium

C16H21N2O3+ — CID 8917988

IUPAC[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccco1
InChIInChI=1S/C16H20N2O3/c1-11-6-7-15(20-3)13(9-11)18-16(19)10-17-12(2)14-5-4-8-21-14/h4-9,12,17H,10H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1
InChIKeyMJZJZIDHENCWQO-LBPRGKRZSA-O
MW289.36 g/mol
LogP1.86
Rot. Bonds6

About [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium

[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium (PubChem CID 8917988) has the molecular formula C16H21N2O3+ and a molecular weight of 289.36 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
PubChem CID8917988
Molecular FormulaC16H21N2O3+
Molecular Weight289.36 g/mol
Exact Mass289.15
IUPAC Name[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccco1
InChIInChI=1S/C16H20N2O3/c1-11-6-7-15(20-3)13(9-11)18-16(19)10-17-12(2)14-5-4-8-21-14/h4-9,12,17H,10H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1
InChIKeyMJZJZIDHENCWQO-LBPRGKRZSA-O
XLogP1.86
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918435
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9333240
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 2096080
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919194
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920588
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium (CID 8917988) is [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium is COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccco1.
What is the InChIKey of [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The InChIKey is MJZJZIDHENCWQO-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-7-15(20-3)13(9-11)18-16(19)10-17-12(2)14-5-4-8-21-14/h4-9,12,17H,10H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium has a molecular weight of 289.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8917988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).