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

C15H23NO2 — CID 41370977

IUPACN-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-12(4)16-15(17)13-6-8-14(9-7-13)18-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyXJWUGUWPVHABRG-LBPRGKRZSA-N
MW249.35 g/mol
LogP3.25
Rot. Bonds6

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

N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 41370977) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
PubChem CID41370977
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-12(4)16-15(17)13-6-8-14(9-7-13)18-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyXJWUGUWPVHABRG-LBPRGKRZSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 61343512
N-butan-2-yl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17151378
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide (CID 41370977) is N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide is CC[C@H](C)NC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is XJWUGUWPVHABRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(4)16-15(17)13-6-8-14(9-7-13)18-10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide?
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 249.35 g/mol, XLogP of 3.25, 6 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-(2-methylpropoxy)benzamide is sourced from PubChem (CID 41370977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).