N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C22H30N4O — CID 109019204

IUPACN-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCc1ccccc1CNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-18-5-3-4-6-19(18)17-24-22(27)11-12-23-20-7-9-21(10-8-20)26-15-13-25(2)14-16-26/h3-10,23H,11-17H2,1-2H3,(H,24,27)
InChIKeyNTSNQDVZGBOAOG-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.87
Rot. Bonds7

About N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109019204) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109019204
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCc1ccccc1CNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-18-5-3-4-6-19(18)17-24-22(27)11-12-23-20-7-9-21(10-8-20)26-15-13-25(2)14-16-26/h3-10,23H,11-17H2,1-2H3,(H,24,27)
InChIKeyNTSNQDVZGBOAOG-UHFFFAOYSA-N
XLogP2.87
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
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-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109019204) is N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is Cc1ccccc1CNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is NTSNQDVZGBOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-5-3-4-6-19(18)17-24-22(27)11-12-23-20-7-9-21(10-8-20)26-15-13-25(2)14-16-26/h3-10,23H,11-17H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 366.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109019204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).