N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide

C19H21NO4 — CID 11771780

IUPACN-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
SMILESCCCCN(C(=O)c1ccccc1)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C19H21NO4/c1-3-4-12-20(18(22)14-8-6-5-7-9-14)19(23)16-13-15(24-2)10-11-17(16)21/h5-11,13,21H,3-4,12H2,1-2H3
InChIKeyGAUIRYBBGVAJKT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.48
Rot. Bonds6

About N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide

N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide (PubChem CID 11771780) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
PubChem CID11771780
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
SMILESCCCCN(C(=O)c1ccccc1)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C19H21NO4/c1-3-4-12-20(18(22)14-8-6-5-7-9-14)19(23)16-13-15(24-2)10-11-17(16)21/h5-11,13,21H,3-4,12H2,1-2H3
InChIKeyGAUIRYBBGVAJKT-UHFFFAOYSA-N
XLogP3.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
[[10-benzoyloxyimino-1,10-bis(2-hydroxy-5-methoxyphenyl)decylidene]amino] benzoate
CID 4694704
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
CID 107424156
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide (CID 11771780) is N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide is CCCCN(C(=O)c1ccccc1)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide?
The InChIKey is GAUIRYBBGVAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-4-12-20(18(22)14-8-6-5-7-9-14)19(23)16-13-15(24-2)10-11-17(16)21/h5-11,13,21H,3-4,12H2,1-2H3.
What are the key properties of N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide?
N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 11771780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).