N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide

C16H23NO3 — CID 115281180

IUPACN-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(O)c(C(=O)N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)8-9-17(12-4-5-12)16(19)14-10-13(20-3)6-7-15(14)18/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyKGHGOBVFIOYGRG-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.05
Rot. Bonds6

About N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide

N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 115281180) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
PubChem CID115281180
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(O)c(C(=O)N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)8-9-17(12-4-5-12)16(19)14-10-13(20-3)6-7-15(14)18/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyKGHGOBVFIOYGRG-UHFFFAOYSA-N
XLogP3.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide (CID 115281180) is N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide is COc1ccc(O)c(C(=O)N(CCC(C)C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is KGHGOBVFIOYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)8-9-17(12-4-5-12)16(19)14-10-13(20-3)6-7-15(14)18/h6-7,10-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide?
N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 115281180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).