(2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide

C20H26N2O2 — CID 50957116

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCN[C@@H](C)C(=O)N(Cc1cccc(C)c1)Cc1ccccc1OC
InChIInChI=1S/C20H26N2O2/c1-15-8-7-9-17(12-15)13-22(20(23)16(2)21-3)14-18-10-5-6-11-19(18)24-4/h5-12,16,21H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyBMKDNUKHXHUQPE-INIZCTEOSA-N
MW326.44 g/mol
LogP3.14
Rot. Bonds7

About (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide

(2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 50957116) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID50957116
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCN[C@@H](C)C(=O)N(Cc1cccc(C)c1)Cc1ccccc1OC
InChIInChI=1S/C20H26N2O2/c1-15-8-7-9-17(12-15)13-22(20(23)16(2)21-3)14-18-10-5-6-11-19(18)24-4/h5-12,16,21H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyBMKDNUKHXHUQPE-INIZCTEOSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
CP-100263
CID 9796216
CP-99994
CID 5311057
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-5-methylphenyl)methyl)amino)-6-methyl-
CID 454369
2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454372
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide (CID 50957116) is (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide is CN[C@@H](C)C(=O)N(Cc1cccc(C)c1)Cc1ccccc1OC.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is BMKDNUKHXHUQPE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-8-7-9-17(12-15)13-22(20(23)16(2)21-3)14-18-10-5-6-11-19(18)24-4/h5-12,16,21H,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide?
(2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 50957116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).