3-amino-2-(4-phenylbutoxy)benzamide

C17H20N2O2 — CID 107873607

IUPAC3-amino-2-(4-phenylbutoxy)benzamide
SMILESNC(=O)c1cccc(N)c1OCCCCc1ccccc1
InChIInChI=1S/C17H20N2O2/c18-15-11-6-10-14(17(19)20)16(15)21-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12,18H2,(H2,19,20)
InChIKeyIAFWRTORXGLRTO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds7

About 3-amino-2-(4-phenylbutoxy)benzamide

3-amino-2-(4-phenylbutoxy)benzamide (PubChem CID 107873607) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-2-(4-phenylbutoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(4-phenylbutoxy)benzamide
PubChem CID107873607
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-2-(4-phenylbutoxy)benzamide
SMILESNC(=O)c1cccc(N)c1OCCCCc1ccccc1
InChIInChI=1S/C17H20N2O2/c18-15-11-6-10-14(17(19)20)16(15)21-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12,18H2,(H2,19,20)
InChIKeyIAFWRTORXGLRTO-UHFFFAOYSA-N
XLogP2.77
TPSA78.34 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 ≤ 52.77
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

3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
3-amino-2-nonoxybenzamide
CID 107873437
3-amino-2-(2-phenylsulfanylethoxy)benzamide
CID 107873530
3-amino-2-pentoxybenzoic acid
CID 112579762
4-(4-phenylbutoxy)benzamide
CID 11963163
3-amino-2-(3-fluoropropoxy)benzoic acid
CID 107077492
8-phenyloctyl carbamate
CID 67180735
4-(5-phenylpentoxy)benzamide
CID 142267536
3-phenylpropyl 3-amino-2-chlorobenzoate
CID 115936018
3-amino-2-(4-cyanobutoxy)benzoic acid
CID 107077586
3,4-bis(6-phenylhexoxy)phthalic acid
CID 139784048
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-phenylbutoxy)benzamide?
The IUPAC name of 3-amino-2-(4-phenylbutoxy)benzamide (CID 107873607) is 3-amino-2-(4-phenylbutoxy)benzamide.
What is the SMILES notation for 3-amino-2-(4-phenylbutoxy)benzamide?
The canonical SMILES for 3-amino-2-(4-phenylbutoxy)benzamide is NC(=O)c1cccc(N)c1OCCCCc1ccccc1.
What is the InChIKey of 3-amino-2-(4-phenylbutoxy)benzamide?
The InChIKey is IAFWRTORXGLRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-15-11-6-10-14(17(19)20)16(15)21-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12,18H2,(H2,19,20).
What are the key properties of 3-amino-2-(4-phenylbutoxy)benzamide?
3-amino-2-(4-phenylbutoxy)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-phenylbutoxy)benzamide is sourced from PubChem (CID 107873607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).