N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

C27H30N2O4 — CID 5052075

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2)o1
InChIInChI=1S/C27H30N2O4/c1-21-14-15-25(33-21)19-28(17-22-9-4-2-5-10-22)26(30)20-29(18-24-13-8-16-32-24)27(31)23-11-6-3-7-12-23/h2-7,9-12,14-15,24H,8,13,16-20H2,1H3
InChIKeyRNLMZSRCRAUJPJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.44
Rot. Bonds9

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 5052075) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID5052075
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2)o1
InChIInChI=1S/C27H30N2O4/c1-21-14-15-25(33-21)19-28(17-22-9-4-2-5-10-22)26(30)20-29(18-24-13-8-16-32-24)27(31)23-11-6-3-7-12-23/h2-7,9-12,14-15,24H,8,13,16-20H2,1H3
InChIKeyRNLMZSRCRAUJPJ-UHFFFAOYSA-N
XLogP4.44
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5103992
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93109942
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4184093
(E)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 92519012
2-[(2-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3430030
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 5155730
2-[(4-acetamidophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3379334
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]dodecanamide
CID 98397338
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4037416
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 3261144
N-(1,3-benzodioxol-5-ylmethyl)-2-[dimethylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4197515
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3444284

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 5052075) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2)o1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RNLMZSRCRAUJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-21-14-15-25(33-21)19-28(17-22-9-4-2-5-10-22)26(30)20-29(18-24-13-8-16-32-24)27(31)23-11-6-3-7-12-23/h2-7,9-12,14-15,24H,8,13,16-20H2,1H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 5052075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).