N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide

C27H28N6O3 — CID 651349

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C27H28N6O3/c1-19-17-22(14-15-23(19)32-18-28-30-31-32)33(27(35)24-13-8-16-36-24)25(20-9-4-2-5-10-20)26(34)29-21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,25H,3,6-7,11-12H2,1H3,(H,29,34)
InChIKeyDOGZGINGGBZJKB-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 651349) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID651349
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C27H28N6O3/c1-19-17-22(14-15-23(19)32-18-28-30-31-32)33(27(35)24-13-8-16-36-24)25(20-9-4-2-5-10-20)26(34)29-21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,25H,3,6-7,11-12H2,1H3,(H,29,34)
InChIKeyDOGZGINGGBZJKB-UHFFFAOYSA-N
XLogP4.40
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide (CID 651349) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide is Cc1cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is DOGZGINGGBZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-19-17-22(14-15-23(19)32-18-28-30-31-32)33(27(35)24-13-8-16-36-24)25(20-9-4-2-5-10-20)26(34)29-21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,25H,3,6-7,11-12H2,1H3,(H,29,34).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 651349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).