4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide

C16H24N2O2 — CID 115439767

IUPAC4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)13(2)18-15(19)16(11-17)6-8-20-9-7-16/h3-5,10,13H,6-9,11,17H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyYSQNFAMHFQZRMW-CYBMUJFWSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds4

About 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide (PubChem CID 115439767) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
PubChem CID115439767
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)13(2)18-15(19)16(11-17)6-8-20-9-7-16/h3-5,10,13H,6-9,11,17H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyYSQNFAMHFQZRMW-CYBMUJFWSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700
4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965
4-(aminomethyl)-N-(1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120918944
4-(aminomethyl)-N-[1-(2,4-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 115439158
4-(aminomethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxane-4-carboxamide
CID 120919609
4-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120933167
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
4-(aminomethyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120927321
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide (CID 115439767) is 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide is Cc1cccc([C@@H](C)NC(=O)C2(CN)CCOCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is YSQNFAMHFQZRMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-3-5-14(10-12)13(2)18-15(19)16(11-17)6-8-20-9-7-16/h3-5,10,13H,6-9,11,17H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115439767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).