N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide

C23H28N2O4 — CID 1058827

IUPACN-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C2CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-17-6-8-18(9-7-17)23(27)25(19-10-11-19)16-22(26)24(14-20-4-2-12-28-20)15-21-5-3-13-29-21/h2,4,6-9,12,19,21H,3,5,10-11,13-16H2,1H3/t21-/m0/s1
InChIKeyYWNOYPXRJKMKMX-NRFANRHFSA-N
MW396.49 g/mol
LogP3.40
Rot. Bonds8

About N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 1058827) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID1058827
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C2CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-17-6-8-18(9-7-17)23(27)25(19-10-11-19)16-22(26)24(14-20-4-2-12-28-20)15-21-5-3-13-29-21/h2,4,6-9,12,19,21H,3,5,10-11,13-16H2,1H3/t21-/m0/s1
InChIKeyYWNOYPXRJKMKMX-NRFANRHFSA-N
XLogP3.40
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide with MolForge

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Related Compounds

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 1058832
N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3495041
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5146816
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058846
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058845
3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5010207
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 93110151
(E)-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7430792
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide (CID 1058827) is N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is YWNOYPXRJKMKMX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-6-8-18(9-7-17)23(27)25(19-10-11-19)16-22(26)24(14-20-4-2-12-28-20)15-21-5-3-13-29-21/h2,4,6-9,12,19,21H,3,5,10-11,13-16H2,1H3/t21-/m0/s1.
What are the key properties of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide?
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 1058827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).