N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide

C21H26N2O3 — CID 26074772

IUPACN-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C21H26N2O3/c1-5-15(3)22-21(25)18-11-6-7-12-19(18)23-20(24)16(4)26-17-10-8-9-14(2)13-17/h6-13,15-16H,5H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1
InChIKeyMOEOOQKUDBTBSH-HOTGVXAUSA-N
MW354.45 g/mol
LogP3.93
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide (PubChem CID 26074772) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
PubChem CID26074772
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1
InChIInChI=1S/C21H26N2O3/c1-5-15(3)22-21(25)18-11-6-7-12-19(18)23-20(24)16(4)26-17-10-8-9-14(2)13-17/h6-13,15-16H,5H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1
InChIKeyMOEOOQKUDBTBSH-HOTGVXAUSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide (CID 26074772) is N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
The InChIKey is MOEOOQKUDBTBSH-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-15(3)22-21(25)18-11-6-7-12-19(18)23-20(24)16(4)26-17-10-8-9-14(2)13-17/h6-13,15-16H,5H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 26074772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).