(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide

C24H28N2O4 — CID 70218763

IUPAC(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)NCC=C
InChIInChI=1S/C24H28N2O4/c1-3-15-25-23(27)21(29-17-19-11-7-5-8-12-19)22(24(28)26-16-4-2)30-18-20-13-9-6-10-14-20/h3-14,21-22H,1-2,15-18H2,(H,25,27)(H,26,28)/t21-,22-/m1/s1
InChIKeyIAKNXIWRJWCTDW-FGZHOGPDSA-N
MW408.50 g/mol
LogP2.76
Rot. Bonds13

About (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide

(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide (PubChem CID 70218763) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide
PubChem CID70218763
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide
SMILESC=CCNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)NCC=C
InChIInChI=1S/C24H28N2O4/c1-3-15-25-23(27)21(29-17-19-11-7-5-8-12-19)22(24(28)26-16-4-2)30-18-20-13-9-6-10-14-20/h3-14,21-22H,1-2,15-18H2,(H,25,27)(H,26,28)/t21-,22-/m1/s1
InChIKeyIAKNXIWRJWCTDW-FGZHOGPDSA-N
XLogP2.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-benzoyloxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] benzoate
CID 18330840
[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate
CID 18330839
benzyl N-[(2R)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 18638334
benzyl N-[1-amino-1,3-dioxo-3-(prop-2-enylamino)propan-2-yl]carbamate
CID 70609159
2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
CID 90979359
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
(2S)-2-amino-3-oxo-3-phenylmethoxy-2-[(prop-2-enylamino)methyl]propanoic acid
CID 57013976
(3S,4R,5S,6R)-6-(benzylamino)-1,3,4,5-tetrakis(phenylmethoxy)non-8-en-2-one
CID 11250911
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide?
The IUPAC name of (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide (CID 70218763) is (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide.
What is the SMILES notation for (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide?
The canonical SMILES for (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide is C=CCNC(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)NCC=C.
What is the InChIKey of (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide?
The InChIKey is IAKNXIWRJWCTDW-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-15-25-23(27)21(29-17-19-11-7-5-8-12-19)22(24(28)26-16-4-2)30-18-20-13-9-6-10-14-20/h3-14,21-22H,1-2,15-18H2,(H,25,27)(H,26,28)/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide?
(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide has a molecular weight of 408.50 g/mol, XLogP of 2.76, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide is sourced from PubChem (CID 70218763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).