N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide

C21H27NO2 — CID 959928

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H27NO2/c1-5-16(4)19-11-6-7-12-20(19)22-21(23)17-9-8-10-18(13-17)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyPXUSVAIBMPLYSX-INIZCTEOSA-N
MW325.45 g/mol
LogP5.49
Rot. Bonds7

About N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide

N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide (PubChem CID 959928) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
PubChem CID959928
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H27NO2/c1-5-16(4)19-11-6-7-12-20(19)22-21(23)17-9-8-10-18(13-17)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyPXUSVAIBMPLYSX-INIZCTEOSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide (CID 959928) is N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide is CC[C@H](C)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is PXUSVAIBMPLYSX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-16(4)19-11-6-7-12-20(19)22-21(23)17-9-8-10-18(13-17)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide?
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 959928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).