N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide

C23H27N3O2 — CID 34193245

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3=Cc4ccccc4OC3)c(C)c2)CC1
InChIInChI=1S/C23H27N3O2/c1-3-25-10-12-26(13-11-25)20-8-9-21(17(2)14-20)24-23(27)19-15-18-6-4-5-7-22(18)28-16-19/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,24,27)
InChIKeyNHUJZTRZNOKDBQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.55
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide (PubChem CID 34193245) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
PubChem CID34193245
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3=Cc4ccccc4OC3)c(C)c2)CC1
InChIInChI=1S/C23H27N3O2/c1-3-25-10-12-26(13-11-25)20-8-9-21(17(2)14-20)24-23(27)19-15-18-6-4-5-7-22(18)28-16-19/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,24,27)
InChIKeyNHUJZTRZNOKDBQ-UHFFFAOYSA-N
XLogP3.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.55
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

4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 55441969
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 34193147
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide (CID 34193245) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide is CCN1CCN(c2ccc(NC(=O)C3=Cc4ccccc4OC3)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide?
The InChIKey is NHUJZTRZNOKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-25-10-12-26(13-11-25)20-8-9-21(17(2)14-20)24-23(27)19-15-18-6-4-5-7-22(18)28-16-19/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 34193245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).