[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium

C19H27N2O2+ — CID 7237808

IUPAC[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C[NH2+]C(C)C)o1
InChIInChI=1S/C19H26N2O2/c1-15(2)20-13-19(22)21(14-18-10-9-16(3)23-18)12-11-17-7-5-4-6-8-17/h4-10,15,20H,11-14H2,1-3H3/p+1
InChIKeyWFEDGIQIOMNPBY-UHFFFAOYSA-O
MW315.44 g/mol
LogP2.13
Rot. Bonds8

About [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium

[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium (PubChem CID 7237808) has the molecular formula C19H27N2O2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium
PubChem CID7237808
Molecular FormulaC19H27N2O2+
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C[NH2+]C(C)C)o1
InChIInChI=1S/C19H26N2O2/c1-15(2)20-13-19(22)21(14-18-10-9-16(3)23-18)12-11-17-7-5-4-6-8-17/h4-10,15,20H,11-14H2,1-3H3/p+1
InChIKeyWFEDGIQIOMNPBY-UHFFFAOYSA-O
XLogP2.13
TPSA50.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7405274
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797
2-[[(2R)-butan-2-yl]-[(2,6-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117330
ethyl (2R)-2-[3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 93117388
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]propanoate
CID 7416856
methyl (2S)-2-[2-methoxyethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 7360740
4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3939552
2-[(4-bromophenyl)methyl-[(2R)-butan-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117344
N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 7412289
2-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117345
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium?
The IUPAC name of [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium (CID 7237808) is [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium.
What is the SMILES notation for [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium?
The canonical SMILES for [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium is Cc1ccc(CN(CCc2ccccc2)C(=O)C[NH2+]C(C)C)o1.
What is the InChIKey of [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium?
The InChIKey is WFEDGIQIOMNPBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N2O2/c1-15(2)20-13-19(22)21(14-18-10-9-16(3)23-18)12-11-17-7-5-4-6-8-17/h4-10,15,20H,11-14H2,1-3H3/p+1.
What are the key properties of [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium?
[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium has a molecular weight of 315.44 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium is sourced from PubChem (CID 7237808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).