N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C19H24N2O4 — CID 110889321

IUPACN-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)NCC(O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)17(21-18(23)14-8-6-13(3)7-9-14)19(24)20-11-15(22)16-5-4-10-25-16/h4-10,12,15,17,22H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyKLGQTAHVXWIJQQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.19
Rot. Bonds7

About N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 110889321) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID110889321
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)NCC(O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C19H24N2O4/c1-12(2)17(21-18(23)14-8-6-13(3)7-9-14)19(24)20-11-15(22)16-5-4-10-25-16/h4-10,12,15,17,22H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyKLGQTAHVXWIJQQ-UHFFFAOYSA-N
XLogP2.19
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119506026
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
CID 111441141
4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 55944241
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51145103
2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
CID 82089753
N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 35613306
N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 55900315
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
CID 111477186
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 110889321) is N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C(=O)NCC(O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is KLGQTAHVXWIJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)17(21-18(23)14-8-6-13(3)7-9-14)19(24)20-11-15(22)16-5-4-10-25-16/h4-10,12,15,17,22H,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 110889321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).