N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C27H29N3O4 — CID 55991002

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O4/c1-2-29(22-9-4-3-5-10-22)25(31)19-20-13-15-21(16-14-20)28-26(32)23-11-6-7-17-30(23)27(33)24-12-8-18-34-24/h3-5,8-10,12-16,18,23H,2,6-7,11,17,19H2,1H3,(H,28,32)
InChIKeyCRUCDXCAIASFKG-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.51
Rot. Bonds7

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55991002) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID55991002
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O4/c1-2-29(22-9-4-3-5-10-22)25(31)19-20-13-15-21(16-14-20)28-26(32)23-11-6-7-17-30(23)27(33)24-12-8-18-34-24/h3-5,8-10,12-16,18,23H,2,6-7,11,17,19H2,1H3,(H,28,32)
InChIKeyCRUCDXCAIASFKG-UHFFFAOYSA-N
XLogP4.51
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55364843
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 136577370
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 60554757
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55991002) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)C2CCCCN2C(=O)c2ccco2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is CRUCDXCAIASFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-2-29(22-9-4-3-5-10-22)25(31)19-20-13-15-21(16-14-20)28-26(32)23-11-6-7-17-30(23)27(33)24-12-8-18-34-24/h3-5,8-10,12-16,18,23H,2,6-7,11,17,19H2,1H3,(H,28,32).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55991002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).