N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide

C16H24N2O2 — CID 106200311

IUPACN-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
SMILESNCc1ccc(NC(=O)CCOCCC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-12-14-4-6-15(7-5-14)18-16(19)9-11-20-10-8-13-2-1-3-13/h4-7,13H,1-3,8-12,17H2,(H,18,19)
InChIKeyZRGCDDGGADPGOM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide

N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide (PubChem CID 106200311) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
PubChem CID106200311
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
SMILESNCc1ccc(NC(=O)CCOCCC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-12-14-4-6-15(7-5-14)18-16(19)9-11-20-10-8-13-2-1-3-13/h4-7,13H,1-3,8-12,17H2,(H,18,19)
InChIKeyZRGCDDGGADPGOM-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200083
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
CID 106200284
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide (CID 106200311) is N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide is NCc1ccc(NC(=O)CCOCCC2CCC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide?
The InChIKey is ZRGCDDGGADPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-12-14-4-6-15(7-5-14)18-16(19)9-11-20-10-8-13-2-1-3-13/h4-7,13H,1-3,8-12,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide is sourced from PubChem (CID 106200311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).