4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide

C17H26N2O2 — CID 115439164

IUPAC4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-4-6-15(13)11-14(2)19-16(20)17(12-18)7-9-21-10-8-17/h3-6,14H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyAYUDDRNVBPPCSM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.80
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide

4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide (PubChem CID 115439164) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
PubChem CID115439164
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-4-6-15(13)11-14(2)19-16(20)17(12-18)7-9-21-10-8-17/h3-6,14H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyAYUDDRNVBPPCSM-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120936516
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-(aminomethyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120927353
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918974
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
4-(aminomethyl)-N-[1-(2,4-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 115439158

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide (CID 115439164) is 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide is Cc1ccccc1CC(C)NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide?
The InChIKey is AYUDDRNVBPPCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-3-4-6-15(13)11-14(2)19-16(20)17(12-18)7-9-21-10-8-17/h3-6,14H,7-12,18H2,1-2H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide?
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 115439164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).