N-(3-oxobutan-2-yl)-3-propoxybenzamide

C14H19NO3 — CID 64996689

IUPACN-(3-oxobutan-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(C)C(C)=O)c1
InChIInChI=1S/C14H19NO3/c1-4-8-18-13-7-5-6-12(9-13)14(17)15-10(2)11(3)16/h5-7,9-10H,4,8H2,1-3H3,(H,15,17)
InChIKeyKGKUFUAXXNNRKJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds6

About N-(3-oxobutan-2-yl)-3-propoxybenzamide

N-(3-oxobutan-2-yl)-3-propoxybenzamide (PubChem CID 64996689) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)-3-propoxybenzamide
PubChem CID64996689
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(3-oxobutan-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(C)C(C)=O)c1
InChIInChI=1S/C14H19NO3/c1-4-8-18-13-7-5-6-12(9-13)14(17)15-10(2)11(3)16/h5-7,9-10H,4,8H2,1-3H3,(H,15,17)
InChIKeyKGKUFUAXXNNRKJ-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
CID 106184785
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-propoxybenzamide
CID 106356268
propan-2-yl 3-propoxybenzoate
CID 60979538

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)-3-propoxybenzamide?
The IUPAC name of N-(3-oxobutan-2-yl)-3-propoxybenzamide (CID 64996689) is N-(3-oxobutan-2-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)-3-propoxybenzamide?
The canonical SMILES for N-(3-oxobutan-2-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NC(C)C(C)=O)c1.
What is the InChIKey of N-(3-oxobutan-2-yl)-3-propoxybenzamide?
The InChIKey is KGKUFUAXXNNRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-8-18-13-7-5-6-12(9-13)14(17)15-10(2)11(3)16/h5-7,9-10H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-(3-oxobutan-2-yl)-3-propoxybenzamide?
N-(3-oxobutan-2-yl)-3-propoxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)-3-propoxybenzamide is sourced from PubChem (CID 64996689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).