N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide

C19H23NO3 — CID 112810487

IUPACN-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C19H23NO3/c1-4-14(2)20(13-15-8-6-5-7-9-15)19(22)17-12-16(23-3)10-11-18(17)21/h5-12,14,21H,4,13H2,1-3H3
InChIKeyFTJSBEISGOUOGM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.84
Rot. Bonds6

About N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide

N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide (PubChem CID 112810487) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
PubChem CID112810487
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C19H23NO3/c1-4-14(2)20(13-15-8-6-5-7-9-15)19(22)17-12-16(23-3)10-11-18(17)21/h5-12,14,21H,4,13H2,1-3H3
InChIKeyFTJSBEISGOUOGM-UHFFFAOYSA-N
XLogP3.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
N-benzyl-N-butan-2-yl-2,5-dimethylfuran-3-carboxamide
CID 134025956
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
benzyl(butan-2-yl)carbamic acid
CID 18954164
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
CID 56536444
[3-[[[(2S)-butan-2-yl]-(2,4-dimethoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 93110705
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
[3-[[[(2R)-butan-2-yl]-(2-fluorobenzoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
CID 93301845
N-benzyl-N-butan-2-yl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 43033492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide (CID 112810487) is N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide is CCC(C)N(Cc1ccccc1)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide?
The InChIKey is FTJSBEISGOUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-14(2)20(13-15-8-6-5-7-9-15)19(22)17-12-16(23-3)10-11-18(17)21/h5-12,14,21H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide?
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 112810487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).