N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide

C14H20N2O2 — CID 114240858

IUPACN-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H20N2O2/c1-10-9-18-6-5-13(10)14(17)16-12-4-2-3-11(7-12)8-15/h2-4,7,10,13H,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyOLSZCRNVYBCYCG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide

N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide (PubChem CID 114240858) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
PubChem CID114240858
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
SMILESCC1COCCC1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H20N2O2/c1-10-9-18-6-5-13(10)14(17)16-12-4-2-3-11(7-12)8-15/h2-4,7,10,13H,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyOLSZCRNVYBCYCG-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 155822223
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N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
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N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
1-[3-(aminomethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
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N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 66240217
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide (CID 114240858) is N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide is CC1COCCC1C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide?
The InChIKey is OLSZCRNVYBCYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-18-6-5-13(10)14(17)16-12-4-2-3-11(7-12)8-15/h2-4,7,10,13H,5-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide?
N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide is sourced from PubChem (CID 114240858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).