N-butan-2-yl-2-propoxybenzamide

C14H21NO2 — CID 71581291

IUPACN-butan-2-yl-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C14H21NO2/c1-4-10-17-13-9-7-6-8-12(13)14(16)15-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyKYRKLTVWMLYOQV-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.00
Rot. Bonds6

About N-butan-2-yl-2-propoxybenzamide

N-butan-2-yl-2-propoxybenzamide (PubChem CID 71581291) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butan-2-yl-2-propoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-propoxybenzamide
PubChem CID71581291
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butan-2-yl-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(C)CC
InChIInChI=1S/C14H21NO2/c1-4-10-17-13-9-7-6-8-12(13)14(16)15-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyKYRKLTVWMLYOQV-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
2-propoxy-N-propylbenzamide
CID 58831728
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
N-(1-phenylethylcarbamothioyl)-2-propoxybenzamide
CID 4948645

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-propoxybenzamide?
The IUPAC name of N-butan-2-yl-2-propoxybenzamide (CID 71581291) is N-butan-2-yl-2-propoxybenzamide.
What is the SMILES notation for N-butan-2-yl-2-propoxybenzamide?
The canonical SMILES for N-butan-2-yl-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-propoxybenzamide?
The InChIKey is KYRKLTVWMLYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-17-13-9-7-6-8-12(13)14(16)15-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-propoxybenzamide?
N-butan-2-yl-2-propoxybenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-propoxybenzamide is sourced from PubChem (CID 71581291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).