4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide

C16H25N3O2 — CID 115439457

IUPAC4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
SMILESCN(CCNC(=O)C1(CN)CCOCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-19(14-5-3-2-4-6-14)10-9-18-15(20)16(13-17)7-11-21-12-8-16/h2-6H,7-13,17H2,1H3,(H,18,20)
InChIKeyGNLAWAQCRMBLTR-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide (PubChem CID 115439457) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
PubChem CID115439457
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
SMILESCN(CCNC(=O)C1(CN)CCOCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-19(14-5-3-2-4-6-14)10-9-18-15(20)16(13-17)7-11-21-12-8-16/h2-6H,7-13,17H2,1H3,(H,18,20)
InChIKeyGNLAWAQCRMBLTR-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 46969615
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120940109
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
4-(aminomethyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]oxane-4-carboxamide;dihydrochloride
CID 120941429
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
4-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]oxane-4-carboxamide;dihydrochloride
CID 120942541

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide (CID 115439457) is 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide is CN(CCNC(=O)C1(CN)CCOCC1)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
The InChIKey is GNLAWAQCRMBLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(14-5-3-2-4-6-14)10-9-18-15(20)16(13-17)7-11-21-12-8-16/h2-6H,7-13,17H2,1H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115439457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).