3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide

C15H22N2O2 — CID 103812285

IUPAC3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)C2CCOCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-3-4-13(9-14(10)16)15(18)17-11(2)12-5-7-19-8-6-12/h3-4,9,11-12H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyWHYZXNLEZMPAOJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide

3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide (PubChem CID 103812285) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
PubChem CID103812285
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)C2CCOCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-3-4-13(9-14(10)16)15(18)17-11(2)12-5-7-19-8-6-12/h3-4,9,11-12H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyWHYZXNLEZMPAOJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.12
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

3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 104938337
4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 114115346
4-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99577391
4-amino-3-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115649252
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289552
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide (CID 103812285) is 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)C2CCOCC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The InChIKey is WHYZXNLEZMPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-3-4-13(9-14(10)16)15(18)17-11(2)12-5-7-19-8-6-12/h3-4,9,11-12H,5-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 103812285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).