N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

C14H20N2O2 — CID 34675021

IUPACN-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCC[C@H](C)NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-4-11(3)16-13(17)9-15-14(18)12-7-5-6-10(2)8-12/h5-8,11H,4,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyQXLPDWVZZIREHN-NSHDSACASA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds5

About N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 34675021) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID34675021
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCC[C@H](C)NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-4-11(3)16-13(17)9-15-14(18)12-7-5-6-10(2)8-12/h5-8,11H,4,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyQXLPDWVZZIREHN-NSHDSACASA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
CID 8733376
N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9481826
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447
2-methyl-4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 80537249
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 34675021) is N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is CC[C@H](C)NC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is QXLPDWVZZIREHN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-11(3)16-13(17)9-15-14(18)12-7-5-6-10(2)8-12/h5-8,11H,4,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 34675021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).