3-amino-4-methyl-2,5-dipropylbenzamide

C14H22N2O — CID 87531245

IUPAC3-amino-4-methyl-2,5-dipropylbenzamide
SMILESCCCc1cc(C(N)=O)c(CCC)c(N)c1C
InChIInChI=1S/C14H22N2O/c1-4-6-10-8-12(14(16)17)11(7-5-2)13(15)9(10)3/h8H,4-7,15H2,1-3H3,(H2,16,17)
InChIKeyNFRMMQLBLSNIEC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-4-methyl-2,5-dipropylbenzamide

3-amino-4-methyl-2,5-dipropylbenzamide (PubChem CID 87531245) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-4-methyl-2,5-dipropylbenzamide.

Molecular Properties

Compound Name3-amino-4-methyl-2,5-dipropylbenzamide
PubChem CID87531245
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-4-methyl-2,5-dipropylbenzamide
SMILESCCCc1cc(C(N)=O)c(CCC)c(N)c1C
InChIInChI=1S/C14H22N2O/c1-4-6-10-8-12(14(16)17)11(7-5-2)13(15)9(10)3/h8H,4-7,15H2,1-3H3,(H2,16,17)
InChIKeyNFRMMQLBLSNIEC-UHFFFAOYSA-N
XLogP2.58
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2,5-dipropylbenzamide?
The IUPAC name of 3-amino-4-methyl-2,5-dipropylbenzamide (CID 87531245) is 3-amino-4-methyl-2,5-dipropylbenzamide.
What is the SMILES notation for 3-amino-4-methyl-2,5-dipropylbenzamide?
The canonical SMILES for 3-amino-4-methyl-2,5-dipropylbenzamide is CCCc1cc(C(N)=O)c(CCC)c(N)c1C.
What is the InChIKey of 3-amino-4-methyl-2,5-dipropylbenzamide?
The InChIKey is NFRMMQLBLSNIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-10-8-12(14(16)17)11(7-5-2)13(15)9(10)3/h8H,4-7,15H2,1-3H3,(H2,16,17).
What are the key properties of 3-amino-4-methyl-2,5-dipropylbenzamide?
3-amino-4-methyl-2,5-dipropylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2,5-dipropylbenzamide is sourced from PubChem (CID 87531245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).