N-(3-aminophenyl)-N-methyl-3-propoxybenzamide

C17H20N2O2 — CID 62918808

IUPACN-(3-aminophenyl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)c2cccc(N)c2)c1
InChIInChI=1S/C17H20N2O2/c1-3-10-21-16-9-4-6-13(11-16)17(20)19(2)15-8-5-7-14(18)12-15/h4-9,11-12H,3,10,18H2,1-2H3
InChIKeyWTZVLLQSXAIFSA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.33
Rot. Bonds5

About N-(3-aminophenyl)-N-methyl-3-propoxybenzamide

N-(3-aminophenyl)-N-methyl-3-propoxybenzamide (PubChem CID 62918808) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-methyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-methyl-3-propoxybenzamide
PubChem CID62918808
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-aminophenyl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)c2cccc(N)c2)c1
InChIInChI=1S/C17H20N2O2/c1-3-10-21-16-9-4-6-13(11-16)17(20)19(2)15-8-5-7-14(18)12-15/h4-9,11-12H,3,10,18H2,1-2H3
InChIKeyWTZVLLQSXAIFSA-UHFFFAOYSA-N
XLogP3.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-propoxybenzamide
CID 22311435
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide
CID 61297490
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
CID 76977885
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-methyl-3-propoxybenzamide?
The IUPAC name of N-(3-aminophenyl)-N-methyl-3-propoxybenzamide (CID 62918808) is N-(3-aminophenyl)-N-methyl-3-propoxybenzamide.
What is the SMILES notation for N-(3-aminophenyl)-N-methyl-3-propoxybenzamide?
The canonical SMILES for N-(3-aminophenyl)-N-methyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(C)c2cccc(N)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-N-methyl-3-propoxybenzamide?
The InChIKey is WTZVLLQSXAIFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-10-21-16-9-4-6-13(11-16)17(20)19(2)15-8-5-7-14(18)12-15/h4-9,11-12H,3,10,18H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N-methyl-3-propoxybenzamide?
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-methyl-3-propoxybenzamide is sourced from PubChem (CID 62918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).