N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide

C16H22N2O2 — CID 43221810

IUPACN-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
SMILESC#CCOc1ccccc1CNC(C)C(=O)NCCC
InChIInChI=1S/C16H22N2O2/c1-4-10-17-16(19)13(3)18-12-14-8-6-7-9-15(14)20-11-5-2/h2,6-9,13,18H,4,10-12H2,1,3H3,(H,17,19)
InChIKeyRXNYEYJPIGMROU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds8

About N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide

N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide (PubChem CID 43221810) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
PubChem CID43221810
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
SMILESC#CCOc1ccccc1CNC(C)C(=O)NCCC
InChIInChI=1S/C16H22N2O2/c1-4-10-17-16(19)13(3)18-12-14-8-6-7-9-15(14)20-11-5-2/h2,6-9,13,18H,4,10-12H2,1,3H3,(H,17,19)
InChIKeyRXNYEYJPIGMROU-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide 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-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
3-[(2-prop-2-ynoxyphenyl)methylamino]butanamide
CID 113250252
methyl 4-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]pentanoate
CID 43688899
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648846
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
CID 28607461
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide?
The IUPAC name of N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide (CID 43221810) is N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide is C#CCOc1ccccc1CNC(C)C(=O)NCCC.
What is the InChIKey of N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide?
The InChIKey is RXNYEYJPIGMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-10-17-16(19)13(3)18-12-14-8-6-7-9-15(14)20-11-5-2/h2,6-9,13,18H,4,10-12H2,1,3H3,(H,17,19).
What are the key properties of N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide?
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide has a molecular weight of 274.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43221810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).