N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C23H31N3O5 — CID 1058395

IUPACN-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(NC(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)C(C)C)cc1
InChIInChI=1S/C23H31N3O5/c1-17(2)26(23(28)24-18-8-10-19(29-3)11-9-18)16-22(27)25(14-20-6-4-12-30-20)15-21-7-5-13-31-21/h4,6,8-12,17,21H,5,7,13-16H2,1-3H3,(H,24,28)/t21-/m1/s1
InChIKeyIWSVNWGJLOUKRD-OAQYLSRUSA-N
MW429.52 g/mol
LogP3.74
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 1058395) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID1058395
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCOc1ccc(NC(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)C(C)C)cc1
InChIInChI=1S/C23H31N3O5/c1-17(2)26(23(28)24-18-8-10-19(29-3)11-9-18)16-22(27)25(14-20-6-4-12-30-20)15-21-7-5-13-31-21/h4,6,8-12,17,21H,5,7,13-16H2,1-3H3,(H,24,28)/t21-/m1/s1
InChIKeyIWSVNWGJLOUKRD-OAQYLSRUSA-N
XLogP3.74
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyanophenyl)carbamoyl-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1058384
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
CID 7237047
2-[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93110281
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]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 4636879
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 7297141
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779
N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 4189347

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 1058395) is N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1ccc(NC(=O)N(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)C(C)C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is IWSVNWGJLOUKRD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-17(2)26(23(28)24-18-8-10-19(29-3)11-9-18)16-22(27)25(14-20-6-4-12-30-20)15-21-7-5-13-31-21/h4,6,8-12,17,21H,5,7,13-16H2,1-3H3,(H,24,28)/t21-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1058395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).