N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide

C18H22N2O3 — CID 119421096

IUPACN-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
SMILESCOc1ccc(N)c(NC(=O)c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H22N2O3/c1-12(2)11-23-15-6-4-5-13(9-15)18(21)20-17-10-14(22-3)7-8-16(17)19/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyDHYFHXHUBIWCEY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.56
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide

N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide (PubChem CID 119421096) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
PubChem CID119421096
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
SMILESCOc1ccc(N)c(NC(=O)c2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C18H22N2O3/c1-12(2)11-23-15-6-4-5-13(9-15)18(21)20-17-10-14(22-3)7-8-16(17)19/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyDHYFHXHUBIWCEY-UHFFFAOYSA-N
XLogP3.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-3-fluorobenzamide
CID 63258141
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17099390
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
N-(1,2-dihydroacenaphthylen-5-yl)-3-(2-methylpropoxy)benzamide
CID 806873
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide (CID 119421096) is N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide is COc1ccc(N)c(NC(=O)c2cccc(OCC(C)C)c2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is DHYFHXHUBIWCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)11-23-15-6-4-5-13(9-15)18(21)20-17-10-14(22-3)7-8-16(17)19/h4-10,12H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide?
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 119421096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).