N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide

C20H25ClN2O2 — CID 55869495

IUPACN-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
SMILESCc1ccccc1OCCCN(C)C(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-15-9-4-7-12-19(15)25-14-8-13-23(3)16(2)20(24)22-18-11-6-5-10-17(18)21/h4-7,9-12,16H,8,13-14H2,1-3H3,(H,22,24)
InChIKeyXNZCHSQBWZRMIR-UHFFFAOYSA-N
MW360.88 g/mol
LogP4.38
Rot. Bonds8

About N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide

N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide (PubChem CID 55869495) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
PubChem CID55869495
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
SMILESCc1ccccc1OCCCN(C)C(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-15-9-4-7-12-19(15)25-14-8-13-23(3)16(2)20(24)22-18-11-6-5-10-17(18)21/h4-7,9-12,16H,8,13-14H2,1-3H3,(H,22,24)
InChIKeyXNZCHSQBWZRMIR-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24507754
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 60517268
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55869108
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,4-difluorophenyl)propanamide
CID 46631679
(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46444363
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide (CID 55869495) is N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide is Cc1ccccc1OCCCN(C)C(C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
The InChIKey is XNZCHSQBWZRMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15-9-4-7-12-19(15)25-14-8-13-23(3)16(2)20(24)22-18-11-6-5-10-17(18)21/h4-7,9-12,16H,8,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide?
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide has a molecular weight of 360.88 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide is sourced from PubChem (CID 55869495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).