(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide

C20H27N3O2 — CID 25363076

IUPAC(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-14(18-8-6-7-9-19(18)25-5)21-15(2)20(24)22-16-10-12-17(13-11-16)23(3)4/h6-15,21H,1-5H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyVRWIYPUWBDXBCP-LSDHHAIUSA-N
MW341.46 g/mol
LogP3.44
Rot. Bonds7

About (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide

(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 25363076) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide
PubChem CID25363076
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide
SMILESCOc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-14(18-8-6-7-9-19(18)25-5)21-15(2)20(24)22-16-10-12-17(13-11-16)23(3)4/h6-15,21H,1-5H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyVRWIYPUWBDXBCP-LSDHHAIUSA-N
XLogP3.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94643027
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943127
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40800165
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide (CID 25363076) is (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide is COc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is VRWIYPUWBDXBCP-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(18-8-6-7-9-19(18)25-5)21-15(2)20(24)22-16-10-12-17(13-11-16)23(3)4/h6-15,21H,1-5H3,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide?
(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 341.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 25363076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).