4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride

C17H26ClN3O3 — CID 120934587

IUPAC4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2(CN)CCOCC2)ccc1C(=O)N(C)C.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12-10-13(4-5-14(12)15(21)20(2)3)19-16(22)17(11-18)6-8-23-9-7-17;/h4-5,10H,6-9,11,18H2,1-3H3,(H,19,22);1H
InChIKeyOKNDNQDNHRSGNQ-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.81
Rot. Bonds4

About 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120934587) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
PubChem CID120934587
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2(CN)CCOCC2)ccc1C(=O)N(C)C.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12-10-13(4-5-14(12)15(21)20(2)3)19-16(22)17(11-18)6-8-23-9-7-17;/h4-5,10H,6-9,11,18H2,1-3H3,(H,19,22);1H
InChIKeyOKNDNQDNHRSGNQ-UHFFFAOYSA-N
XLogP1.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide
CID 107574152
4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
CID 120941701
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 120917638

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride (CID 120934587) is 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride is Cc1cc(NC(=O)C2(CN)CCOCC2)ccc1C(=O)N(C)C.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is OKNDNQDNHRSGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-12-10-13(4-5-14(12)15(21)20(2)3)19-16(22)17(11-18)6-8-23-9-7-17;/h4-5,10H,6-9,11,18H2,1-3H3,(H,19,22);1H.
What are the key properties of 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).