N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide

C14H21NO2 — CID 134006113

IUPACN-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(COC)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(2)15(3)14(16)13-8-6-12(7-9-13)10-17-4/h6-9,11H,5,10H2,1-4H3
InChIKeyZQSZKHVHJXKQEI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds5

About N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide

N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide (PubChem CID 134006113) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
PubChem CID134006113
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(COC)cc1
InChIInChI=1S/C14H21NO2/c1-5-11(2)15(3)14(16)13-8-6-12(7-9-13)10-17-4/h6-9,11H,5,10H2,1-4H3
InChIKeyZQSZKHVHJXKQEI-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
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Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
N-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
Methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate
CID 782222
methyl 4-[3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
CID 3240575
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
methyl 4-[(E)-1-(2-methylpropoxycarbonylamino)-2-propylhex-2-enyl]benzoate
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Methyl 4-{[(4-hydroxybutyl)amino]carbonyl}benzoate
CID 4381083

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide?
The IUPAC name of N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide (CID 134006113) is N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide is CCC(C)N(C)C(=O)c1ccc(COC)cc1.
What is the InChIKey of N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide?
The InChIKey is ZQSZKHVHJXKQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(2)15(3)14(16)13-8-6-12(7-9-13)10-17-4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide?
N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(methoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 134006113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).