N-butan-2-yl-2-methoxybenzamide

C12H17NO2 — CID 3117660

IUPACN-butan-2-yl-2-methoxybenzamide
SMILESCCC(C)NC(=O)c1ccccc1OC
InChIInChI=1S/C12H17NO2/c1-4-9(2)13-12(14)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyKGPHPTSJCDCHNY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.22
Rot. Bonds4

About N-butan-2-yl-2-methoxybenzamide

N-butan-2-yl-2-methoxybenzamide (PubChem CID 3117660) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butan-2-yl-2-methoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methoxybenzamide
PubChem CID3117660
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butan-2-yl-2-methoxybenzamide
SMILESCCC(C)NC(=O)c1ccccc1OC
InChIInChI=1S/C12H17NO2/c1-4-9(2)13-12(14)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyKGPHPTSJCDCHNY-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17151357
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
N-butan-2-yl-2-propoxybenzamide
CID 71581291
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methoxybenzamide?
The IUPAC name of N-butan-2-yl-2-methoxybenzamide (CID 3117660) is N-butan-2-yl-2-methoxybenzamide.
What is the SMILES notation for N-butan-2-yl-2-methoxybenzamide?
The canonical SMILES for N-butan-2-yl-2-methoxybenzamide is CCC(C)NC(=O)c1ccccc1OC.
What is the InChIKey of N-butan-2-yl-2-methoxybenzamide?
The InChIKey is KGPHPTSJCDCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(2)13-12(14)10-7-5-6-8-11(10)15-3/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of N-butan-2-yl-2-methoxybenzamide?
N-butan-2-yl-2-methoxybenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methoxybenzamide is sourced from PubChem (CID 3117660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).