N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide

C23H26N2O3 — CID 125171573

IUPACN-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
SMILESCC[C@H](CO)N(Cc1ccco1)C(=O)c1cccc(-c2ccc(NC)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-3-21(16-26)25(15-22-8-5-13-28-22)23(27)19-7-4-6-18(14-19)17-9-11-20(24-2)12-10-17/h4-14,21,24,26H,3,15-16H2,1-2H3/t21-/m1/s1
InChIKeyWVKKCANTXRPJNR-OAQYLSRUSA-N
MW378.47 g/mol
LogP4.40
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide

N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide (PubChem CID 125171573) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
PubChem CID125171573
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
SMILESCC[C@H](CO)N(Cc1ccco1)C(=O)c1cccc(-c2ccc(NC)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-3-21(16-26)25(15-22-8-5-13-28-22)23(27)19-7-4-6-18(14-19)17-9-11-20(24-2)12-10-17/h4-14,21,24,26H,3,15-16H2,1-2H3/t21-/m1/s1
InChIKeyWVKKCANTXRPJNR-OAQYLSRUSA-N
XLogP4.40
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-[4-(methylamino)phenyl]benzamide
CID 118778400
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 45235611
N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
CID 95228784
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 46994383
3-[1-hydroxybutan-2-yl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 82324689
N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-phenylbenzamide
CID 110349208
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide (CID 125171573) is N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide is CC[C@H](CO)N(Cc1ccco1)C(=O)c1cccc(-c2ccc(NC)cc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide?
The InChIKey is WVKKCANTXRPJNR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-21(16-26)25(15-22-8-5-13-28-22)23(27)19-7-4-6-18(14-19)17-9-11-20(24-2)12-10-17/h4-14,21,24,26H,3,15-16H2,1-2H3/t21-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide?
N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide is sourced from PubChem (CID 125171573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).