N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide

C16H26N2O2 — CID 103283160

IUPACN-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide
SMILESCCCC(C)COCCC(=O)Nc1ccccc1CN
InChIInChI=1S/C16H26N2O2/c1-3-6-13(2)12-20-10-9-16(19)18-15-8-5-4-7-14(15)11-17/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3,(H,18,19)
InChIKeyLNPVUMLLAGDGDS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.93
Rot. Bonds9

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

N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide (PubChem CID 103283160) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide
PubChem CID103283160
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide
SMILESCCCC(C)COCCC(=O)Nc1ccccc1CN
InChIInChI=1S/C16H26N2O2/c1-3-6-13(2)12-20-10-9-16(19)18-15-8-5-4-7-14(15)11-17/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3,(H,18,19)
InChIKeyLNPVUMLLAGDGDS-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.93
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-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
CID 103283763
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107766915
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767023
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804
N-[2-(2-methylpropyl)phenyl]butanamide
CID 130436413
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 51100289

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide (CID 103283160) is N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide is CCCC(C)COCCC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide?
The InChIKey is LNPVUMLLAGDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-6-13(2)12-20-10-9-16(19)18-15-8-5-4-7-14(15)11-17/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide?
N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide is sourced from PubChem (CID 103283160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).