3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide

C20H26N2O — CID 109019653

IUPAC3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cccc(CNCCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O/c1-15(2)18-9-4-5-10-19(18)22-20(23)11-12-21-14-17-8-6-7-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyLSWQTQZVWHWKGY-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.24
Rot. Bonds7

About 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide

3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109019653) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109019653
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cccc(CNCCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H26N2O/c1-15(2)18-9-4-5-10-19(18)22-20(23)11-12-21-14-17-8-6-7-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyLSWQTQZVWHWKGY-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
1-N-[(3-methylphenyl)methyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975121
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide (CID 109019653) is 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide is Cc1cccc(CNCCC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is LSWQTQZVWHWKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)18-9-4-5-10-19(18)22-20(23)11-12-21-14-17-8-6-7-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide?
3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109019653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).