2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide

C16H26N2O2 — CID 82940849

IUPAC2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
SMILESCCCOCCCNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-2-10-20-11-6-9-18-16(19)15(13-17)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,19)
InChIKeyFXCUGIQCYZPRHI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.74
Rot. Bonds10

About 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide

2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide (PubChem CID 82940849) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
PubChem CID82940849
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
SMILESCCCOCCCNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-2-10-20-11-6-9-18-16(19)15(13-17)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,19)
InChIKeyFXCUGIQCYZPRHI-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.74
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

2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 106335596
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
2-benzyl-4-propoxybutanoic acid
CID 106454836
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
CID 107941600

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide?
The IUPAC name of 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide (CID 82940849) is 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide is CCCOCCCNC(=O)C(CN)Cc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide?
The InChIKey is FXCUGIQCYZPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-10-20-11-6-9-18-16(19)15(13-17)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide?
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide is sourced from PubChem (CID 82940849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).