N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide

C15H23NO3 — CID 65112128

IUPACN-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(C)(O)CC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-19-13-8-6-7-12(10-13)14(17)16-11-15(3,18)5-2/h6-8,10,18H,4-5,9,11H2,1-3H3,(H,16,17)
InChIKeyYPDCPGRWZKCLTJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds7

About N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide

N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide (PubChem CID 65112128) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
PubChem CID65112128
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(C)(O)CC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-19-13-8-6-7-12(10-13)14(17)16-11-15(3,18)5-2/h6-8,10,18H,4-5,9,11H2,1-3H3,(H,16,17)
InChIKeyYPDCPGRWZKCLTJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-methyl-4-[(3-propoxybenzoyl)amino]butanoic acid
CID 66001127
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919842
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide (CID 65112128) is N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC(C)(O)CC)c1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide?
The InChIKey is YPDCPGRWZKCLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-19-13-8-6-7-12(10-13)14(17)16-11-15(3,18)5-2/h6-8,10,18H,4-5,9,11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide?
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide is sourced from PubChem (CID 65112128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).