2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide

C19H31N3O2 — CID 95336956

IUPAC2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@H](C)CN1CCN(CC)CC1
InChIInChI=1S/C19H31N3O2/c1-4-21-10-12-22(13-11-21)15-16(3)14-20-19(23)17-8-6-7-9-18(17)24-5-2/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeySWXMEDYWOMTIJM-INIZCTEOSA-N
MW333.48 g/mol
LogP2.09
Rot. Bonds8

About 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide

2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide (PubChem CID 95336956) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
PubChem CID95336956
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@H](C)CN1CCN(CC)CC1
InChIInChI=1S/C19H31N3O2/c1-4-21-10-12-22(13-11-21)15-16(3)14-20-19(23)17-8-6-7-9-18(17)24-5-2/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeySWXMEDYWOMTIJM-INIZCTEOSA-N
XLogP2.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
N'-(2-ethoxyphenyl)-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
CID 95342156
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 95314131
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide (CID 95336956) is 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide is CCOc1ccccc1C(=O)NC[C@H](C)CN1CCN(CC)CC1.
What is the InChIKey of 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
The InChIKey is SWXMEDYWOMTIJM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-21-10-12-22(13-11-21)15-16(3)14-20-19(23)17-8-6-7-9-18(17)24-5-2/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide has a molecular weight of 333.48 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 95336956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).