N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide

C15H22N2O2 — CID 79750370

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)15(18)17(2)10-13-5-3-12(9-16)4-6-13/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyBVIHWUPZHKYWLS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.53
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide (PubChem CID 79750370) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
PubChem CID79750370
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)15(18)17(2)10-13-5-3-12(9-16)4-6-13/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyBVIHWUPZHKYWLS-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79762796
(2R,3R)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332672
(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332675
N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
CID 79750074
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide (CID 79750370) is N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide is CC1OCCC1C(=O)N(C)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
The InChIKey is BVIHWUPZHKYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)15(18)17(2)10-13-5-3-12(9-16)4-6-13/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 79750370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).