2-amino-N-(3-phenylmethoxypropyl)benzamide

C17H20N2O2 — CID 43579724

IUPAC2-amino-N-(3-phenylmethoxypropyl)benzamide
SMILESNc1ccccc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C17H20N2O2/c18-16-10-5-4-9-15(16)17(20)19-11-6-12-21-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2,(H,19,20)
InChIKeyDIGXFUORXZWBJQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-(3-phenylmethoxypropyl)benzamide

2-amino-N-(3-phenylmethoxypropyl)benzamide (PubChem CID 43579724) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-(3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-phenylmethoxypropyl)benzamide
PubChem CID43579724
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-(3-phenylmethoxypropyl)benzamide
SMILESNc1ccccc1C(=O)NCCCOCc1ccccc1
InChIInChI=1S/C17H20N2O2/c18-16-10-5-4-9-15(16)17(20)19-11-6-12-21-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2,(H,19,20)
InChIKeyDIGXFUORXZWBJQ-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
CID 61111226
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
2-bromo-N-(3-phenylmethoxypropyl)pyridine-4-carboxamide
CID 103754007

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-phenylmethoxypropyl)benzamide?
The IUPAC name of 2-amino-N-(3-phenylmethoxypropyl)benzamide (CID 43579724) is 2-amino-N-(3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 2-amino-N-(3-phenylmethoxypropyl)benzamide is Nc1ccccc1C(=O)NCCCOCc1ccccc1.
What is the InChIKey of 2-amino-N-(3-phenylmethoxypropyl)benzamide?
The InChIKey is DIGXFUORXZWBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-16-10-5-4-9-15(16)17(20)19-11-6-12-21-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2,(H,19,20).
What are the key properties of 2-amino-N-(3-phenylmethoxypropyl)benzamide?
2-amino-N-(3-phenylmethoxypropyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 43579724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).