4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide

C15H21N3O3 — CID 115438931

IUPAC4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H21N3O3/c1-17-13(19)11-4-2-3-5-12(11)18-14(20)15(10-16)6-8-21-9-7-15/h2-5H,6-10,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyWZIZLASYGFSHPM-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.74
Rot. Bonds4

About 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide (PubChem CID 115438931) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
PubChem CID115438931
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H21N3O3/c1-17-13(19)11-4-2-3-5-12(11)18-14(20)15(10-16)6-8-21-9-7-15/h2-5H,6-10,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyWZIZLASYGFSHPM-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-chlorobenzoic acid
CID 115439336
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
CID 115438956
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide (CID 115438931) is 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide is CNC(=O)c1ccccc1NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
The InChIKey is WZIZLASYGFSHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-13(19)11-4-2-3-5-12(11)18-14(20)15(10-16)6-8-21-9-7-15/h2-5H,6-10,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 115438931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).