N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide

C15H22N2O — CID 103161396

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
SMILESCC(NC(=O)CC1CCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-11(14-7-5-13(10-16)6-8-14)17-15(18)9-12-3-2-4-12/h5-8,11-12H,2-4,9-10,16H2,1H3,(H,17,18)
InChIKeyCOBUQXDCQRMFBP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds5

About N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide (PubChem CID 103161396) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
PubChem CID103161396
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
SMILESCC(NC(=O)CC1CCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-11(14-7-5-13(10-16)6-8-14)17-15(18)9-12-3-2-4-12/h5-8,11-12H,2-4,9-10,16H2,1H3,(H,17,18)
InChIKeyCOBUQXDCQRMFBP-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103165283
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
2-cyclopentyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 134002861
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide (CID 103161396) is N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide is CC(NC(=O)CC1CCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide?
The InChIKey is COBUQXDCQRMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(14-7-5-13(10-16)6-8-14)17-15(18)9-12-3-2-4-12/h5-8,11-12H,2-4,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide is sourced from PubChem (CID 103161396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).