2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide

C16H26N2O2 — CID 115579712

IUPAC2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
SMILESCOCc1ccc(CNC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-18-16(19)13(3)17-10-14-5-7-15(8-6-14)11-20-4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyAGWZCYTWPAVXDH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds8

About 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide

2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 115579712) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
PubChem CID115579712
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
SMILESCOCc1ccc(CNC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-18-16(19)13(3)17-10-14-5-7-15(8-6-14)11-20-4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyAGWZCYTWPAVXDH-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)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

2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
N-(2-methylpropyl)-2-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 115591536
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
2-[(3-cyano-4-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107880417
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylbutan-1-ol
CID 79254253

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide (CID 115579712) is 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide is COCc1ccc(CNC(C)C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is AGWZCYTWPAVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-18-16(19)13(3)17-10-14-5-7-15(8-6-14)11-20-4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide?
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 115579712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).