N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide

C24H32N2O4 — CID 7297141

IUPACN-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1cccc(C)c1
InChIInChI=1S/C24H32N2O4/c1-4-19(3)26(24(28)20-9-5-8-18(2)14-20)17-23(27)25(15-21-10-6-12-29-21)16-22-11-7-13-30-22/h5-6,8-10,12,14,19,22H,4,7,11,13,15-17H2,1-3H3/t19-,22-/m0/s1
InChIKeyAGSWVSPTHIWYCA-UGKGYDQZSA-N
MW412.53 g/mol
LogP4.04
Rot. Bonds9

About N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide

N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 7297141) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID7297141
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1cccc(C)c1
InChIInChI=1S/C24H32N2O4/c1-4-19(3)26(24(28)20-9-5-8-18(2)14-20)17-23(27)25(15-21-10-6-12-29-21)16-22-11-7-13-30-22/h5-6,8-10,12,14,19,22H,4,7,11,13,15-17H2,1-3H3/t19-,22-/m0/s1
InChIKeyAGSWVSPTHIWYCA-UGKGYDQZSA-N
XLogP4.04
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide with MolForge

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Related Compounds

N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 42773390
2-[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93110281
(E)-N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7418257
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]-N-(2-methylpropyl)benzamide
CID 5146813
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5010207
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
CID 7237047
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1058827
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
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 4636879

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide (CID 7297141) is N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide is CC[C@H](C)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is AGSWVSPTHIWYCA-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-19(3)26(24(28)20-9-5-8-18(2)14-20)17-23(27)25(15-21-10-6-12-29-21)16-22-11-7-13-30-22/h5-6,8-10,12,14,19,22H,4,7,11,13,15-17H2,1-3H3/t19-,22-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 7297141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).