4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride

C18H29ClN2O3 — CID 120927353

IUPAC4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-5-4-6-14(2)16(13)23-11-15(3)20-17(21)18(12-19)7-9-22-10-8-18;/h4-6,15H,7-12,19H2,1-3H3,(H,20,21);1H
InChIKeyQYVDDRZKTXAPFP-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.36
Rot. Bonds6

About 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120927353) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120927353
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-5-4-6-14(2)16(13)23-11-15(3)20-17(21)18(12-19)7-9-22-10-8-18;/h4-6,15H,7-12,19H2,1-3H3,(H,20,21);1H
InChIKeyQYVDDRZKTXAPFP-UHFFFAOYSA-N
XLogP2.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(2,6-dimethylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120925815
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926918
4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120936516
4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride (CID 120927353) is 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride is Cc1cccc(C)c1OCC(C)NC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is QYVDDRZKTXAPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13-5-4-6-14(2)16(13)23-11-15(3)20-17(21)18(12-19)7-9-22-10-8-18;/h4-6,15H,7-12,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120927353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).