[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium

C20H27N2O2+ — CID 8646102

IUPAC[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2/c1-5-19(16-9-11-18(24-4)12-10-16)21-15(3)20(23)22-17-8-6-7-14(2)13-17/h6-13,15,19,21H,5H2,1-4H3,(H,22,23)/p+1/t15-,19+/m1/s1
InChIKeyDDYSTWULWCUTMQ-BEFAXECRSA-O
MW327.45 g/mol
LogP3.05
Rot. Bonds7

About [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium

[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium (PubChem CID 8646102) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
PubChem CID8646102
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2/c1-5-19(16-9-11-18(24-4)12-10-16)21-15(3)20(23)22-17-8-6-7-14(2)13-17/h6-13,15,19,21H,5H2,1-4H3,(H,22,23)/p+1/t15-,19+/m1/s1
InChIKeyDDYSTWULWCUTMQ-BEFAXECRSA-O
XLogP3.05
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646046
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646070
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9263465
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium (CID 8646102) is [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium is CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium?
The InChIKey is DDYSTWULWCUTMQ-BEFAXECRSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-5-19(16-9-11-18(24-4)12-10-16)21-15(3)20(23)22-17-8-6-7-14(2)13-17/h6-13,15,19,21H,5H2,1-4H3,(H,22,23)/p+1/t15-,19+/m1/s1.
What are the key properties of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium?
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium has a molecular weight of 327.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8646102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).