cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium

C20H27N2O2+ — CID 7405274

IUPACcyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C[NH2+]CC2CC2)o1
InChIInChI=1S/C20H26N2O2/c1-16-7-10-19(24-16)15-22(12-11-17-5-3-2-4-6-17)20(23)14-21-13-18-8-9-18/h2-7,10,18,21H,8-9,11-15H2,1H3/p+1
InChIKeyUYYCLAACSLKXJM-UHFFFAOYSA-O
MW327.45 g/mol
LogP2.13
Rot. Bonds9

About cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium

cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium (PubChem CID 7405274) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
PubChem CID7405274
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Namecyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C[NH2+]CC2CC2)o1
InChIInChI=1S/C20H26N2O2/c1-16-7-10-19(24-16)15-22(12-11-17-5-3-2-4-6-17)20(23)14-21-13-18-8-9-18/h2-7,10,18,21H,8-9,11-15H2,1H3/p+1
InChIKeyUYYCLAACSLKXJM-UHFFFAOYSA-O
XLogP2.13
TPSA50.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium
CID 7237808
cyclopropylmethyl-[(2R)-1-ethoxy-1-oxopropan-2-yl]-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7296135
2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128931
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3322210
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 4233999
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3487602
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3953294
N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3610810

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium?
The IUPAC name of cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium (CID 7405274) is cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium is Cc1ccc(CN(CCc2ccccc2)C(=O)C[NH2+]CC2CC2)o1.
What is the InChIKey of cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium?
The InChIKey is UYYCLAACSLKXJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-16-7-10-19(24-16)15-22(12-11-17-5-3-2-4-6-17)20(23)14-21-13-18-8-9-18/h2-7,10,18,21H,8-9,11-15H2,1H3/p+1.
What are the key properties of cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium?
cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium has a molecular weight of 327.45 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 7405274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).