(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C19H31N3O2 — CID 99972762

IUPAC(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H31N3O2/c1-15-6-7-18(16(2)14-15)24-17(3)19(23)20-8-5-9-22-12-10-21(4)11-13-22/h6-7,14,17H,5,8-13H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyWDEGBSWKSYSSLV-QGZVFWFLSA-N
MW333.48 g/mol
LogP1.82
Rot. Bonds7

About (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 99972762) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID99972762
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H31N3O2/c1-15-6-7-18(16(2)14-15)24-17(3)19(23)20-8-5-9-22-12-10-21(4)11-13-22/h6-7,14,17H,5,8-13H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyWDEGBSWKSYSSLV-QGZVFWFLSA-N
XLogP1.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764890
2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
CID 18724643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 99972762) is (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is Cc1ccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c(C)c1.
What is the InChIKey of (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is WDEGBSWKSYSSLV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15-6-7-18(16(2)14-15)24-17(3)19(23)20-8-5-9-22-12-10-21(4)11-13-22/h6-7,14,17H,5,8-13H2,1-4H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 99972762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).