4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide

C14H20N2O2 — CID 114113473

IUPAC4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)NC1(C)CCCOC1
InChIInChI=1S/C14H20N2O2/c1-10-8-11(15)4-5-12(10)13(17)16-14(2)6-3-7-18-9-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyIOQRTFYUQSWJGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds2

About 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide

4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide (PubChem CID 114113473) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
PubChem CID114113473
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)NC1(C)CCCOC1
InChIInChI=1S/C14H20N2O2/c1-10-8-11(15)4-5-12(10)13(17)16-14(2)6-3-7-18-9-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyIOQRTFYUQSWJGZ-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
CID 103897052
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 114114566
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
3-amino-5-bromo-N-(3-methyloxan-3-yl)benzamide
CID 114113463
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2-chloro-N-(3-methyloxan-3-yl)furan-3-carboxamide
CID 106812547
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
4-amino-2-chloro-N-(1-methylcyclohexyl)benzamide;hydrochloride
CID 119736471

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide?
The IUPAC name of 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide (CID 114113473) is 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide.
What is the SMILES notation for 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide?
The canonical SMILES for 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide is Cc1cc(N)ccc1C(=O)NC1(C)CCCOC1.
What is the InChIKey of 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide?
The InChIKey is IOQRTFYUQSWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-11(15)4-5-12(10)13(17)16-14(2)6-3-7-18-9-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide?
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide is sourced from PubChem (CID 114113473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).