N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide

C21H26ClN3O2 — CID 143201059

IUPACN-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
SMILESC=C(c1cc(Cl)ccc1CC/C=C\C)[C@@H](NC(=O)COC)c1cncn1C
InChIInChI=1S/C21H26ClN3O2/c1-5-6-7-8-16-9-10-17(22)11-18(16)15(2)21(24-20(26)13-27-4)19-12-23-14-25(19)3/h5-6,9-12,14,21H,2,7-8,13H2,1,3-4H3,(H,24,26)/b6-5-/t21-/m1/s1
InChIKeyZAMRHANQMLNPIA-QEVIJRNUSA-N
MW387.91 g/mol
LogP4.10
Rot. Bonds9

About N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide

N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide (PubChem CID 143201059) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
PubChem CID143201059
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
SMILESC=C(c1cc(Cl)ccc1CC/C=C\C)[C@@H](NC(=O)COC)c1cncn1C
InChIInChI=1S/C21H26ClN3O2/c1-5-6-7-8-16-9-10-17(22)11-18(16)15(2)21(24-20(26)13-27-4)19-12-23-14-25(19)3/h5-6,9-12,14,21H,2,7-8,13H2,1,3-4H3,(H,24,26)/b6-5-/t21-/m1/s1
InChIKeyZAMRHANQMLNPIA-QEVIJRNUSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.10
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-[(1R)-2-[5-chloro-2-[2-[[(Z)-prop-1-enyl]amino]but-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide
CID 143201091
[(3R)-oxolan-3-yl] 4-[(1R)-1-[4-chloro-2-[(3R)-3-[(2-methoxyacetyl)amino]-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]but-3-enyl]piperazine-1-carboxylate
CID 143001815
N-[(R)-(2-chloro-6-ethenylimino-5,7-dihydrobenzo[7]annulen-9-yl)-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
CID 143001860
N-[(1R)-2-[2-[(3Z,5Z)-6-amino-3,5-dimethylhexa-3,5-dienyl]-5-chlorophenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]cyclopropanecarboxamide;ethane;propan-2-yl piperazine-1-carboxylate
CID 143200922
methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
CID 99791300
(1R)-2-[5-chloro-2-(pyridin-2-ylmethyl)phenyl]-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 143200957
N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
CID 91435879
butane;(1Z,3Z)-6-[4-chloro-2-[3-(methylamino)-3-(3-methylimidazol-4-yl)prop-1-en-2-yl]phenyl]-6-(1-methylpiperidin-4-yl)hexa-1,3-dien-1-amine
CID 143252249
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
tert-butyl N-[(1R)-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]propyl]carbamate
CID 104943854
N,2-dimethyl-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 82896240
5-chloro-2-(3-oxopropyl)benzoic acid
CID 19737241

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide (CID 143201059) is N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide is C=C(c1cc(Cl)ccc1CC/C=C\C)[C@@H](NC(=O)COC)c1cncn1C.
What is the InChIKey of N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide?
The InChIKey is ZAMRHANQMLNPIA-QEVIJRNUSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-5-6-7-8-16-9-10-17(22)11-18(16)15(2)21(24-20(26)13-27-4)19-12-23-14-25(19)3/h5-6,9-12,14,21H,2,7-8,13H2,1,3-4H3,(H,24,26)/b6-5-/t21-/m1/s1.
What are the key properties of N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide?
N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide has a molecular weight of 387.91 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[5-chloro-2-[(Z)-pent-3-enyl]phenyl]-1-(3-methylimidazol-4-yl)prop-2-enyl]-2-methoxyacetamide is sourced from PubChem (CID 143201059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).