N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide

C14H21NO2 — CID 40772005

IUPACN-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-14(16)12-6-8-13(9-7-12)17-10(2)3/h6-11H,5H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyYOPGIKXTLLLSNK-NSHDSACASA-N
MW235.33 g/mol
LogP3.00
Rot. Bonds5

About N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide

N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 40772005) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID40772005
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-14(16)12-6-8-13(9-7-12)17-10(2)3/h6-11H,5H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyYOPGIKXTLLLSNK-NSHDSACASA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide (CID 40772005) is N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide is CC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is YOPGIKXTLLLSNK-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(4)15-14(16)12-6-8-13(9-7-12)17-10(2)3/h6-11H,5H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide?
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 40772005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).