4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide

C17H20N2O2 — CID 60927264

IUPAC4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)11-21-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeyBFSROQAGPWKXPX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds5

About 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide

4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide (PubChem CID 60927264) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
PubChem CID60927264
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1ccccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)11-21-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeyBFSROQAGPWKXPX-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 61102984
4-(ethylsulfamoyl)-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55990432
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide (CID 60927264) is 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide is CC(C)COc1ccccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is BFSROQAGPWKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)11-21-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-10,12H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide?
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 60927264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).