N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide

C19H28N4O2 — CID 94182334

IUPACN'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C19H28N4O2/c1-13-12-16(23-10-8-22(3)9-11-23)6-7-17(13)21-19(25)18(24)20-14(2)15-4-5-15/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyCYONQTIGYRHGNI-AWEZNQCLSA-N
MW344.46 g/mol
LogP1.60
Rot. Bonds4

About N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide

N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 94182334) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID94182334
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C19H28N4O2/c1-13-12-16(23-10-8-22(3)9-11-23)6-7-17(13)21-19(25)18(24)20-14(2)15-4-5-15/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyCYONQTIGYRHGNI-AWEZNQCLSA-N
XLogP1.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 94182334) is N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C1CC1.
What is the InChIKey of N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is CYONQTIGYRHGNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-12-16(23-10-8-22(3)9-11-23)6-7-17(13)21-19(25)18(24)20-14(2)15-4-5-15/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,25)/t14-/m0/s1.
What are the key properties of N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 344.46 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 94182334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).