N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide

C21H27NO2 — CID 959904

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-5-16(4)19-8-6-7-9-20(19)22-21(23)17-10-12-18(13-11-17)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyNUVOUODSDBCMFQ-INIZCTEOSA-N
MW325.45 g/mol
LogP5.49
Rot. Bonds7

About N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide

N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 959904) 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]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID959904
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-5-16(4)19-8-6-7-9-20(19)22-21(23)17-10-12-18(13-11-17)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyNUVOUODSDBCMFQ-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]-3-(2-methylpropoxy)benzamide
CID 959928
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
CID 41121356
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17093762
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751744
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide (CID 959904) is N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide is CC[C@H](C)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is NUVOUODSDBCMFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-16(4)19-8-6-7-9-20(19)22-21(23)17-10-12-18(13-11-17)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]-4-(2-methylpropoxy)benzamide?
N-[2-[(2S)-butan-2-yl]phenyl]-4-(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]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 959904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).