(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide

C18H30N4O — CID 97209190

IUPAC(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCCN(C)c1ccccc1CNC(=O)[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C18H30N4O/c1-5-21(4)17-9-7-6-8-16(17)14-19-18(23)15(2)22-12-10-20(3)11-13-22/h6-9,15H,5,10-14H2,1-4H3,(H,19,23)/t15-/m1/s1
InChIKeyCCCRNXFDWVUMRV-OAHLLOKOSA-N
MW318.47 g/mol
LogP1.39
Rot. Bonds6

About (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide

(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 97209190) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID97209190
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCCN(C)c1ccccc1CNC(=O)[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C18H30N4O/c1-5-21(4)17-9-7-6-8-16(17)14-19-18(23)15(2)22-12-10-20(3)11-13-22/h6-9,15H,5,10-14H2,1-4H3,(H,19,23)/t15-/m1/s1
InChIKeyCCCRNXFDWVUMRV-OAHLLOKOSA-N
XLogP1.39
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
CID 110470326
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 134045480
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432729

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 97209190) is (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide is CCN(C)c1ccccc1CNC(=O)[C@@H](C)N1CCN(C)CC1.
What is the InChIKey of (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is CCCRNXFDWVUMRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-21(4)17-9-7-6-8-16(17)14-19-18(23)15(2)22-12-10-20(3)11-13-22/h6-9,15H,5,10-14H2,1-4H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide?
(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 318.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 97209190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).