N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide

C16H23NO2 — CID 78974536

IUPACN-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1O
InChIInChI=1S/C16H23NO2/c1-11(2)8-9-17(14-6-7-14)16(19)13-5-4-12(3)15(18)10-13/h4-5,10-11,14,18H,6-9H2,1-3H3
InChIKeyBTVGOCONKOROGM-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.35
Rot. Bonds5

About N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide

N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide (PubChem CID 78974536) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
PubChem CID78974536
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1O
InChIInChI=1S/C16H23NO2/c1-11(2)8-9-17(14-6-7-14)16(19)13-5-4-12(3)15(18)10-13/h4-5,10-11,14,18H,6-9H2,1-3H3
InChIKeyBTVGOCONKOROGM-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
CID 107075660
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
4-amino-N-cyclopropyl-3-methoxy-N-(3-methylbutyl)benzamide
CID 104782560

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide (CID 78974536) is N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide is Cc1ccc(C(=O)N(CCC(C)C)C2CC2)cc1O.
What is the InChIKey of N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is BTVGOCONKOROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)8-9-17(14-6-7-14)16(19)13-5-4-12(3)15(18)10-13/h4-5,10-11,14,18H,6-9H2,1-3H3.
What are the key properties of N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide?
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 78974536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).