(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide

C22H27NO2 — CID 118204661

IUPAC(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
SMILESC=C[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C22H27NO2/c1-5-21(19-13-10-14-20(15-19)25-4)17(3)22(24)23(6-2)16-18-11-8-7-9-12-18/h5,7-15,17,21H,1,6,16H2,2-4H3/t17-,21-/m1/s1
InChIKeyNTGNREKHUHQSHA-DYESRHJHSA-N
MW337.46 g/mol
LogP4.65
Rot. Bonds8

About (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide

(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide (PubChem CID 118204661) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
PubChem CID118204661
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
SMILESC=C[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C22H27NO2/c1-5-21(19-13-10-14-20(15-19)25-4)17(3)22(24)23(6-2)16-18-11-8-7-9-12-18/h5,7-15,17,21H,1,6,16H2,2-4H3/t17-,21-/m1/s1
InChIKeyNTGNREKHUHQSHA-DYESRHJHSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
CID 118204481
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
3-(3-methoxyphenyl)-N,N,2-trimethylpent-4-enamide
CID 118204455
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide?
The IUPAC name of (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide (CID 118204661) is (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide.
What is the SMILES notation for (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide?
The canonical SMILES for (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide is C=C[C@@H](c1cccc(OC)c1)[C@@H](C)C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide?
The InChIKey is NTGNREKHUHQSHA-DYESRHJHSA-N. The full InChI is InChI=1S/C22H27NO2/c1-5-21(19-13-10-14-20(15-19)25-4)17(3)22(24)23(6-2)16-18-11-8-7-9-12-18/h5,7-15,17,21H,1,6,16H2,2-4H3/t17-,21-/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide?
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide has a molecular weight of 337.46 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide is sourced from PubChem (CID 118204661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).