2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide

C34H48N4O8 — CID 90979359

IUPAC2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)C(OC)C(OC)C(=O)NCC=C.COC(C(=O)NC(C)c1ccccc1)C(OC)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H28N2O4.C12H20N2O4/c1-15(17-11-7-5-8-12-17)23-21(25)19(27-3)20(28-4)22(26)24-16(2)18-13-9-6-10-14-18;1-5-7-13-11(15)9(17-3)10(18-4)12(16)14-8-6-2/h5-16,19-20H,1-4H3,(H,23,25)(H,24,26);5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,15)(H,14,16)
InChIKeyJPMMWVWJUBFPQO-UHFFFAOYSA-N
MW640.78 g/mol
LogP2.39
Rot. Bonds18

About 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide

2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide (PubChem CID 90979359) has the molecular formula C34H48N4O8 and a molecular weight of 640.78 g/mol. Its IUPAC name is 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide.

Molecular Properties

Compound Name2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
PubChem CID90979359
Molecular FormulaC34H48N4O8
Molecular Weight640.78 g/mol
Exact Mass640.35
IUPAC Name2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)C(OC)C(OC)C(=O)NCC=C.COC(C(=O)NC(C)c1ccccc1)C(OC)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C22H28N2O4.C12H20N2O4/c1-15(17-11-7-5-8-12-17)23-21(25)19(27-3)20(28-4)22(26)24-16(2)18-13-9-6-10-14-18;1-5-7-13-11(15)9(17-3)10(18-4)12(16)14-8-6-2/h5-16,19-20H,1-4H3,(H,23,25)(H,24,26);5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,15)(H,14,16)
InChIKeyJPMMWVWJUBFPQO-UHFFFAOYSA-N
XLogP2.39
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.78
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide
CID 70218763
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate
CID 18330839

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
The IUPAC name of 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide (CID 90979359) is 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide.
What is the SMILES notation for 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
The canonical SMILES for 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide is C=CCNC(=O)C(OC)C(OC)C(=O)NCC=C.COC(C(=O)NC(C)c1ccccc1)C(OC)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
The InChIKey is JPMMWVWJUBFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.C12H20N2O4/c1-15(17-11-7-5-8-12-17)23-21(25)19(27-3)20(28-4)22(26)24-16(2)18-13-9-6-10-14-18;1-5-7-13-11(15)9(17-3)10(18-4)12(16)14-8-6-2/h5-16,19-20H,1-4H3,(H,23,25)(H,24,26);5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,15)(H,14,16).
What are the key properties of 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide?
2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide has a molecular weight of 640.78 g/mol, XLogP of 2.39, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide is sourced from PubChem (CID 90979359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).