(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

C21H26N2O3 — CID 9167652

IUPAC(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-13-26-19-11-9-17(10-12-19)15-23(3)16(2)21(24)22-18-7-6-8-20(14-18)25-4/h5-12,14,16H,1,13,15H2,2-4H3,(H,22,24)/t16-/m1/s1
InChIKeyJDPPULMQZDYJAN-MRXNPFEDSA-N
MW354.45 g/mol
LogP3.72
Rot. Bonds9

About (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (PubChem CID 9167652) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
PubChem CID9167652
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-13-26-19-11-9-17(10-12-19)15-23(3)16(2)21(24)22-18-7-6-8-20(14-18)25-4/h5-12,14,16H,1,13,15H2,2-4H3,(H,22,24)/t16-/m1/s1
InChIKeyJDPPULMQZDYJAN-MRXNPFEDSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46630573
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (CID 9167652) is (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is C=CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The InChIKey is JDPPULMQZDYJAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-13-26-19-11-9-17(10-12-19)15-23(3)16(2)21(24)22-18-7-6-8-20(14-18)25-4/h5-12,14,16H,1,13,15H2,2-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 9167652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).