N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C22H32N4O — CID 109026280

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C)CCc2ccncc2)c(C)c1
InChIInChI=1S/C22H32N4O/c1-5-26(6-2)20-7-8-21(18(3)17-20)24-22(27)12-16-25(4)15-11-19-9-13-23-14-10-19/h7-10,13-14,17H,5-6,11-12,15-16H2,1-4H3,(H,24,27)
InChIKeyASLMWAOQYIFVRI-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.74
Rot. Bonds10

About N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 109026280) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID109026280
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C)CCc2ccncc2)c(C)c1
InChIInChI=1S/C22H32N4O/c1-5-26(6-2)20-7-8-21(18(3)17-20)24-22(27)12-16-25(4)15-11-19-9-13-23-14-10-19/h7-10,13-14,17H,5-6,11-12,15-16H2,1-4H3,(H,24,27)
InChIKeyASLMWAOQYIFVRI-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527424
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001612
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 109026280) is N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is CCN(CC)c1ccc(NC(=O)CCN(C)CCc2ccncc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is ASLMWAOQYIFVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-26(6-2)20-7-8-21(18(3)17-20)24-22(27)12-16-25(4)15-11-19-9-13-23-14-10-19/h7-10,13-14,17H,5-6,11-12,15-16H2,1-4H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 368.53 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 109026280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).