N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide

C22H31N3O — CID 109020065

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)20-11-12-21(18(4)15-20)24-22(26)13-14-23-16-19-9-7-17(3)8-10-19/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26)
InChIKeyCUYSMOLECKGNGJ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.27
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109020065) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109020065
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)20-11-12-21(18(4)15-20)24-22(26)13-14-23-16-19-9-7-17(3)8-10-19/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26)
InChIKeyCUYSMOLECKGNGJ-UHFFFAOYSA-N
XLogP4.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide (CID 109020065) is N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide is CCN(CC)c1ccc(NC(=O)CCNCc2ccc(C)cc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is CUYSMOLECKGNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-25(6-2)20-11-12-21(18(4)15-20)24-22(26)13-14-23-16-19-9-7-17(3)8-10-19/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109020065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).