4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide

C15H20ClN3O3 — CID 120926896

IUPAC4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2(CN)CCOCC2)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-18-13(20)11-3-2-10(8-12(11)16)19-14(21)15(9-17)4-6-22-7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyOSGRJNLRAOSGKA-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.39
Rot. Bonds4

About 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide (PubChem CID 120926896) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
PubChem CID120926896
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2(CN)CCOCC2)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-18-13(20)11-3-2-10(8-12(11)16)19-14(21)15(9-17)4-6-22-7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyOSGRJNLRAOSGKA-UHFFFAOYSA-N
XLogP1.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922768
4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 115438931
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide (CID 120926896) is 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide is CNC(=O)c1ccc(NC(=O)C2(CN)CCOCC2)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
The InChIKey is OSGRJNLRAOSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-18-13(20)11-3-2-10(8-12(11)16)19-14(21)15(9-17)4-6-22-7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120926896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).