N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide

C16H22N2O2 — CID 63011151

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
SMILESNc1cccc(CN(C(=O)C2CCCOC2)C2CC2)c1
InChIInChI=1S/C16H22N2O2/c17-14-5-1-3-12(9-14)10-18(15-6-7-15)16(19)13-4-2-8-20-11-13/h1,3,5,9,13,15H,2,4,6-8,10-11,17H2
InChIKeyDRYCUQMXIWIGQC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.19
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide

N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide (PubChem CID 63011151) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
PubChem CID63011151
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
SMILESNc1cccc(CN(C(=O)C2CCCOC2)C2CC2)c1
InChIInChI=1S/C16H22N2O2/c17-14-5-1-3-12(9-14)10-18(15-6-7-15)16(19)13-4-2-8-20-11-13/h1,3,5,9,13,15H,2,4,6-8,10-11,17H2
InChIKeyDRYCUQMXIWIGQC-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
CID 55149191
N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135006
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
CID 62758627
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide (CID 63011151) is N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide is Nc1cccc(CN(C(=O)C2CCCOC2)C2CC2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide?
The InChIKey is DRYCUQMXIWIGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-5-1-3-12(9-14)10-18(15-6-7-15)16(19)13-4-2-8-20-11-13/h1,3,5,9,13,15H,2,4,6-8,10-11,17H2.
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide?
N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide is sourced from PubChem (CID 63011151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).