3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide

C23H37N3O2 — CID 110303341

IUPAC3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CC(c2ccc(OC)cc2)C2CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-5-25-12-14-26(15-13-25)23(2,3)17-24-22(27)16-21(18-6-7-18)19-8-10-20(28-4)11-9-19/h8-11,18,21H,5-7,12-17H2,1-4H3,(H,24,27)
InChIKeyPSMXHQBPELBBIF-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.11
Rot. Bonds9

About 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide

3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110303341) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110303341
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CC(c2ccc(OC)cc2)C2CC2)CC1
InChIInChI=1S/C23H37N3O2/c1-5-25-12-14-26(15-13-25)23(2,3)17-24-22(27)16-21(18-6-7-18)19-8-10-20(28-4)11-9-19/h8-11,18,21H,5-7,12-17H2,1-4H3,(H,24,27)
InChIKeyPSMXHQBPELBBIF-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110616654
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110302123
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 26520547
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide
CID 110353519
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide (CID 110303341) is 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide is CCN1CCN(C(C)(C)CNC(=O)CC(c2ccc(OC)cc2)C2CC2)CC1.
What is the InChIKey of 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is PSMXHQBPELBBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-5-25-12-14-26(15-13-25)23(2,3)17-24-22(27)16-21(18-6-7-18)19-8-10-20(28-4)11-9-19/h8-11,18,21H,5-7,12-17H2,1-4H3,(H,24,27).
What are the key properties of 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 387.57 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110303341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).