N-[(4-aminophenyl)methyl]-3-propoxybenzamide

C17H20N2O2 — CID 62921372

IUPACN-[(4-aminophenyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-2-10-21-16-5-3-4-14(11-16)17(20)19-12-13-6-8-15(18)9-7-13/h3-9,11H,2,10,12,18H2,1H3,(H,19,20)
InChIKeyKTDUYKDMLIYJBY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.99
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-3-propoxybenzamide

N-[(4-aminophenyl)methyl]-3-propoxybenzamide (PubChem CID 62921372) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-propoxybenzamide
PubChem CID62921372
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(4-aminophenyl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-2-10-21-16-5-3-4-14(11-16)17(20)19-12-13-6-8-15(18)9-7-13/h3-9,11H,2,10,12,18H2,1H3,(H,19,20)
InChIKeyKTDUYKDMLIYJBY-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
N-[(4-aminophenyl)methyl]-3-cyanobenzamide
CID 60893168
3-nitro-N-[(4-propoxyphenyl)methyl]benzamide
CID 71822488
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-propoxybenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-propoxybenzamide (CID 62921372) is N-[(4-aminophenyl)methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-propoxybenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2ccc(N)cc2)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-propoxybenzamide?
The InChIKey is KTDUYKDMLIYJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-10-21-16-5-3-4-14(11-16)17(20)19-12-13-6-8-15(18)9-7-13/h3-9,11H,2,10,12,18H2,1H3,(H,19,20).
What are the key properties of N-[(4-aminophenyl)methyl]-3-propoxybenzamide?
N-[(4-aminophenyl)methyl]-3-propoxybenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-propoxybenzamide is sourced from PubChem (CID 62921372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).