N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

C23H30N2O4 — CID 5146813

IUPACN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C23H30N2O4/c1-18(2)14-25(23(27)19-8-4-3-5-9-19)17-22(26)24(15-20-10-6-12-28-20)16-21-11-7-13-29-21/h3-6,8-10,12,18,21H,7,11,13-17H2,1-2H3
InChIKeySOKRQOZKRKDYPN-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.59
Rot. Bonds9

About N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (PubChem CID 5146813) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
PubChem CID5146813
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C23H30N2O4/c1-18(2)14-25(23(27)19-8-4-3-5-9-19)17-22(26)24(15-20-10-6-12-28-20)16-21-11-7-13-29-21/h3-6,8-10,12,18,21H,7,11,13-17H2,1-2H3
InChIKeySOKRQOZKRKDYPN-UHFFFAOYSA-N
XLogP3.59
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5146816
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 4636879
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 93110082
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 7297141
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1058827
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylprop-2-enamide
CID 3638962
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 3423494
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 1058832

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (CID 5146813) is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is SOKRQOZKRKDYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-18(2)14-25(23(27)19-8-4-3-5-9-19)17-22(26)24(15-20-10-6-12-28-20)16-21-11-7-13-29-21/h3-6,8-10,12,18,21H,7,11,13-17H2,1-2H3.
What are the key properties of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 5146813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).