N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide

C14H18N2O5 — CID 71129478

IUPACN-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N[C@@H](CO)C(C)=O)cc1
InChIInChI=1S/C14H18N2O5/c1-9(18)12(8-17)16-13(19)7-15-14(20)10-3-5-11(21-2)6-4-10/h3-6,12,17H,7-8H2,1-2H3,(H,15,20)(H,16,19)/t12-/m0/s1
InChIKeyFAPICEWURPXKKU-LBPRGKRZSA-N
MW294.31 g/mol
LogP-0.51
Rot. Bonds7

About N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide

N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 71129478) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
PubChem CID71129478
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N[C@@H](CO)C(C)=O)cc1
InChIInChI=1S/C14H18N2O5/c1-9(18)12(8-17)16-13(19)7-15-14(20)10-3-5-11(21-2)6-4-10/h3-6,12,17H,7-8H2,1-2H3,(H,15,20)(H,16,19)/t12-/m0/s1
InChIKeyFAPICEWURPXKKU-LBPRGKRZSA-N
XLogP-0.51
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(4-butoxybenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 75413045
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80749551
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide (CID 71129478) is N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N[C@@H](CO)C(C)=O)cc1.
What is the InChIKey of N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is FAPICEWURPXKKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(18)12(8-17)16-13(19)7-15-14(20)10-3-5-11(21-2)6-4-10/h3-6,12,17H,7-8H2,1-2H3,(H,15,20)(H,16,19)/t12-/m0/s1.
What are the key properties of N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 294.31 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 71129478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).