(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide

C19H21NO2 — CID 118204605

IUPAC(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
SMILESC=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)C(N)=O
InChIInChI=1S/C19H21NO2/c1-3-18(14(2)19(20)21)16-10-7-11-17(12-16)22-13-15-8-5-4-6-9-15/h3-12,14,18H,1,13H2,2H3,(H2,20,21)/t14-,18-/m1/s1
InChIKeyDWHSCLWRVNJEFC-RDTXWAMCSA-N
MW295.38 g/mol
LogP3.66
Rot. Bonds7

About (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide

(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide (PubChem CID 118204605) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
PubChem CID118204605
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
SMILESC=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)C(N)=O
InChIInChI=1S/C19H21NO2/c1-3-18(14(2)19(20)21)16-10-7-11-17(12-16)22-13-15-8-5-4-6-9-15/h3-12,14,18H,1,13H2,2H3,(H2,20,21)/t14-,18-/m1/s1
InChIKeyDWHSCLWRVNJEFC-RDTXWAMCSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine
CID 118204778
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enal
CID 161278873

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide?
The IUPAC name of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide (CID 118204605) is (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide.
What is the SMILES notation for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide?
The canonical SMILES for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide is C=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)C(N)=O.
What is the InChIKey of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide?
The InChIKey is DWHSCLWRVNJEFC-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-18(14(2)19(20)21)16-10-7-11-17(12-16)22-13-15-8-5-4-6-9-15/h3-12,14,18H,1,13H2,2H3,(H2,20,21)/t14-,18-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide?
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide is sourced from PubChem (CID 118204605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).