4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide

C19H24N2O2 — CID 126445261

IUPAC4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1ccc(-c2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(22)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(23)21(3)13-12-20-2/h4-11,14,20,22H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyMNXRAJAMOGJKAD-AWEZNQCLSA-N
MW312.41 g/mol
LogP2.70
Rot. Bonds6

About 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide

4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 126445261) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide
PubChem CID126445261
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1ccc(-c2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(22)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(23)21(3)13-12-20-2/h4-11,14,20,22H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyMNXRAJAMOGJKAD-AWEZNQCLSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide
CID 126433961
4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 126450476
methyl 3-methyl-4-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]benzoate;hydrochloride
CID 154903879
2-methyl-N-[1-[3-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide
CID 167225758
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 67216049
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
CID 134213133
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N-methyl-N-[2-(methylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103885153
4-[4-[4-(1-hydroxyethyl)phenyl]-N-[4-[4-(1-hydroxyethyl)phenyl]phenyl]anilino]benzoic acid
CID 122508574
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide (CID 126445261) is 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide is CNCCN(C)C(=O)c1ccc(-c2ccc([C@H](C)O)cc2)cc1.
What is the InChIKey of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is MNXRAJAMOGJKAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(22)15-4-6-16(7-5-15)17-8-10-18(11-9-17)19(23)21(3)13-12-20-2/h4-11,14,20,22H,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide?
4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 312.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 126445261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).